Thursday, December 29, 2011

http://ChemLookup.com Compounds




CAS RN: 6251-25-8
CAS Name: 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-allyl-2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate
IUPAC Name: ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C29H33N3O8S3
MOLECULAR WEIGHT: 647.78262
SMILES: CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC)S2)CC=C
Structure:

CAS RN: 5595-78-8
CAS Name: 3-(1-benzotriazolyl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
OPENEYE Name: 3-(benzotriazol-1-yl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]propanamide
IUPAC Name: 3-(benzotriazol-1-yl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
SYSTEMATIC NAME: 3-(benzotriazol-1-yl)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
MOLECULAR FORMULA: C23H20BrN5O2
MOLECULAR WEIGHT: 478.3412
SMILES: C1=CC=C(C(=C1)C=NNC(=O)CCN2C3=CC=CC=C3N=N2)OCC4=CC(=CC=C4)Br
Structure:

CAS RN: 5595-17-5
CAS Name: 2-(3-methylanilino)-N-(pyridin-4-ylmethylideneamino)acetamide
OPENEYE Name: 2-(3-methylanilino)-N-(4-pyridylmethyleneamino)acetamide
IUPAC Name: 2-(3-methylanilino)-N-(pyridin-4-ylmethylideneamino)acetamide
SYSTEMATIC NAME: 2-[(3-methylphenyl)amino]-N-(pyridin-4-ylmethylideneamino)ethanamide
MOLECULAR FORMULA: C15H16N4O
MOLECULAR WEIGHT: 268.31374
SMILES: CC1=CC(=CC=C1)NCC(=O)NN=CC2=CC=NC=C2
Structure:

CAS RN: 6513-93-5
CAS Name: 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-3,5-dioxo-pyrazolidin-1-yl]benzoate
IUPAC Name: ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H15ClN2O6
MOLECULAR WEIGHT: 414.7959
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3Cl)OCO4)C(=O)N2
Structure:

CAS RN: 6496-44-2
CAS Name: 4-[(2-fluorophenyl)methylidene]-3-methyl-5-isoxazolone
OPENEYE Name: 4-[(2-fluorophenyl)methylene]-3-methyl-isoxazol-5-one
IUPAC Name: 4-[(2-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SYSTEMATIC NAME: 4-[(2-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
MOLECULAR FORMULA: C11H8FNO2
MOLECULAR WEIGHT: 205.185123
SMILES: CC1=NOC(=O)C1=CC2=CC=CC=C2F
Structure:

CAS RN: 5896-72-0
CAS Name: N-[3-(dimethylamino)propyl]-5-(1-oxoheptylamino)-2-(1-pyrrolidinyl)benzamide
OPENEYE Name: N-[3-(dimethylamino)propyl]-5-(heptanoylamino)-2-pyrrolidin-1-yl-benzamide
IUPAC Name: N-[3-(dimethylamino)propyl]-5-(heptanoylamino)-2-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: N-[3-(dimethylamino)propyl]-5-(heptanoylamino)-2-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C23H38N4O2
MOLECULAR WEIGHT: 402.57342
SMILES: CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCCN(C)C
Structure:

CAS RN: 6513-70-8
CAS Name: N'-(4,6-dianilino-1,3,5-triazin-2-yl)benzohydrazide
OPENEYE Name: N'-(4,6-dianilino-1,3,5-triazin-2-yl)benzohydrazide
IUPAC Name: N'-(4,6-dianilino-1,3,5-triazin-2-yl)benzohydrazide
SYSTEMATIC NAME: N'-[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]benzohydrazide
MOLECULAR FORMULA: C22H19N7O
MOLECULAR WEIGHT: 397.43256
SMILES: C1=CC=C(C=C1)C(=O)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4
Structure:

CAS RN: 6613-84-9
CAS Name: 6-[5-[1-[(2-chlorophenyl)methyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid
OPENEYE Name: 6-[5-[1-[(2-chlorophenyl)methyl]-2-oxo-indolin-3-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid
IUPAC Name: 6-[5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
SYSTEMATIC NAME: 6-[5-[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MOLECULAR FORMULA: C24H21ClN2O4S2
MOLECULAR WEIGHT: 501.01754
SMILES: C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCCCCC(=O)O)C2=O)Cl
Structure:

CAS RN: 6613-23-6
CAS Name: 3-(1,1-dioxo-3-thiolanyl)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C27H27N3O4S3
MOLECULAR WEIGHT: 553.71598
SMILES: CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)OC(C)C
Structure:

CAS RN: 6533-72-8
CAS Name: 4-bromobenzoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1,3-diphenylprop-1-enyl] ester
OPENEYE Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenyl-prop-1-enyl] 4-bromobenzoate
IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-bromobenzoate
SYSTEMATIC NAME: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-bromanylbenzoate
MOLECULAR FORMULA: C28H18BrNO5S
MOLECULAR WEIGHT: 560.41522
SMILES: C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)Br
Structure:

CAS RN: 5213-87-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H71N3O11
MOLECULAR WEIGHT: 962.17644
SMILES: C=CCOC12C(CC(=NOC3CCCCO3)C4=CC(C(C(C41)C5=C(O2)C=CC(=C5)OC(=O)NCC6=CC=CC=C6)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)CCC9CCCC9
Structure:

CAS RN: 5213-26-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H65N5O16
MOLECULAR WEIGHT: 1064.1392
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)OC4(C(CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC(C(C3C64)CCCCO)CCCCO)N(CCOCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-])OCC=C)OC
Structure:

CAS RN: 6753-69-1
CAS Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl)benzonitrile
OPENEYE Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl)benzonitrile
IUPAC Name: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl)benzonitrile
SYSTEMATIC NAME: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl)benzenecarbonitrile
MOLECULAR FORMULA: C23H24N3O2+
MOLECULAR WEIGHT: 374.45556
SMILES: CCOC1=C(C=C2C(=C1)C[NH2+]C(C3=CC=CN32)C4=CC=C(C=C4)C#N)OCC
Structure:

CAS RN: 5275-22-9
CAS Name: 2-amino-1-[4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-1-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
IUPAC Name: ethyl 2-amino-1-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-1-[4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
MOLECULAR FORMULA: C29H27N5O6
MOLECULAR WEIGHT: 541.55458
SMILES: CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC)N
Structure:

CAS RN: 6062-61-9
CAS Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-[2-(4-hydroxyphenyl)ethyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-8-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]-6-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C35H28Cl2FIN2O7
MOLECULAR WEIGHT: 805.414893
SMILES: COC1=C(C(=CC(=C1)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CCC7=CC=C(C=C7)O)I)O
Structure:

CAS RN: 6260-80-6
CAS Name: 3,4-dimethoxy-N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]benzamide
OPENEYE Name: 3,4-dimethoxy-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]benzamide
IUPAC Name: 3,4-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 3,4-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C16H13N3O5S2
MOLECULAR WEIGHT: 391.42152
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-])OC
Structure:

CAS RN: 6256-51-5
CAS Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(4-ethoxyphenyl)-1-(2-furanylmethyl)thiourea
OPENEYE Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(4-ethoxyphenyl)-1-(2-furylmethyl)thiourea
IUPAC Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C26H29N3O2S
MOLECULAR WEIGHT: 447.59236
SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CCC2=C(NC3=C2C=C(C=C3)C)C)CC4=CC=CO4
Structure:

CAS RN: 6609-55-8
CAS Name: 3-amino-N-(2-methoxyphenyl)-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]iminopropanamide
OPENEYE Name: 3-amino-N-(2-methoxyphenyl)-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethoxy]imino-propanamide
IUPAC Name: 3-amino-N-(2-methoxyphenyl)-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]iminopropanamide
SYSTEMATIC NAME: 3-azanyl-N-(2-methoxyphenyl)-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethoxy]imino-propanamide
MOLECULAR FORMULA: C21H26N4O5
MOLECULAR WEIGHT: 414.45494
SMILES: COC1=CC=C(C=C1)CCNC(=O)CON=C(CC(=O)NC2=CC=CC=C2OC)N
Structure:

CAS RN: 1170-16-7
CAS Name: 1-(1-naphthalenylamino)-3-(1-naphthalenylimino)thiourea
OPENEYE Name: 1-(1-naphthylamino)-3-(1-naphthylimino)thiourea
IUPAC Name: 1-(naphthalen-1-ylamino)-3-naphthalen-1-yliminothiourea
SYSTEMATIC NAME: 1-(naphthalen-1-ylamino)-3-naphthalen-1-ylimino-thiourea
MOLECULAR FORMULA: C21H16N4S
MOLECULAR WEIGHT: 356.44354
SMILES: C1=CC=C2C(=C1)C=CC=C2NNC(=S)N=NC3=CC=CC4=CC=CC=C43
Structure:

CAS RN: 6522-02-7
CAS Name: 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-N-methylanilino]propanenitrile
OPENEYE Name: 3-[4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-N-methyl-anilino]propanenitrile
IUPAC Name: 3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-methylanilino]propanenitrile
SYSTEMATIC NAME: 3-[[4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]-methyl-amino]propanenitrile
MOLECULAR FORMULA: C16H17N3OS2
MOLECULAR WEIGHT: 331.45568
SMILES: CCN1C(=O)C(=CC2=CC=C(C=C2)N(C)CCC#N)SC1=S
Structure:

CAS RN: 5210-81-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H60N2O12
MOLECULAR WEIGHT: 917.0497
SMILES: CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=NOCC4=CC=CC=C4)C5=CC(C(C6C5C3(OC7=C6C=C(C=C7)OC8=CC(=C(C=C8)OC)C=O)OCC=C)CCCCO)CCCCO
Structure:

CAS RN: 6620-73-1
CAS Name: N2-[4-(4-chlorophenyl)-2-thiazolyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-[4-(4-chlorophenyl)thiazol-2-yl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C12H9ClN6S
MOLECULAR WEIGHT: 304.75806
SMILES: C1=CC(=CC=C1C2=CSC(=N2)NC3=NC=NC(=N3)N)Cl
Structure:

CAS RN: 5222-34-4
CAS Name: acetic acid (2-sulfanylidene-1H-pyridin-3-yl) ester
OPENEYE Name: (2-thioxo-1H-pyridin-3-yl) acetate
IUPAC Name: (2-sulfanylidene-1H-pyridin-3-yl) acetate
SYSTEMATIC NAME: (2-sulfanylidene-1H-pyridin-3-yl) ethanoate
MOLECULAR FORMULA: C7H7NO2S
MOLECULAR WEIGHT: 169.20098
SMILES: CC(=O)OC1=CC=CNC1=S
Structure:

CAS RN: 76349-09-2
CAS Name: acetic acid (2-sulfanylidene-1H-pyridin-3-yl) ester
OPENEYE Name: (2-thioxo-1H-pyridin-3-yl) acetate
IUPAC Name: (2-sulfanylidene-1H-pyridin-3-yl) acetate
SYSTEMATIC NAME: (2-sulfanylidene-1H-pyridin-3-yl) ethanoate
MOLECULAR FORMULA: C7H7NO2S
MOLECULAR WEIGHT: 169.20098
SMILES: CC(=O)OC1=CC=CNC1=S
Structure:

CAS RN: 5882-47-3
CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-phenylpropanamide
OPENEYE Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-phenyl-propanamide
IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-phenylpropanamide
SYSTEMATIC NAME: N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-phenyl-propanamide
MOLECULAR FORMULA: C29H38N4O3
MOLECULAR WEIGHT: 490.63702
SMILES: CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C(C)(C)C)C(=O)CCC3=CC=CC=C3
Structure:

CAS RN: 6040-25-1
CAS Name: N-cyclohexyl-3-(3-fluorophenyl)-3-(8-phenylmethoxy-3-imidazo[1,2-a]pyridinyl)propanamide
OPENEYE Name: 3-(8-benzyloxyimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-(3-fluorophenyl)propanamide
IUPAC Name: N-cyclohexyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SYSTEMATIC NAME: N-cyclohexyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
MOLECULAR FORMULA: C29H30FN3O2
MOLECULAR WEIGHT: 471.565803
SMILES: C1CCC(CC1)NC(=O)CC(C2=CC(=CC=C2)F)C3=CN=C4N3C=CC=C4OCC5=CC=CC=C5
Structure:

CAS RN: 5205-36-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H54N4O11S
MOLECULAR WEIGHT: 931.05966
SMILES: CN(C1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(C(C4C3C1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=CC8=C7N=CC=C8
Structure:

CAS RN: 6188-44-9
CAS Name: N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
OPENEYE Name: N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC Name: N-(4-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-(4-bromophenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C25H24BrFN2O3S
MOLECULAR WEIGHT: 531.437063
SMILES: COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)Br)COC4=CC=C(C=C4)F)OC
Structure:

CAS RN: 6058-32-8
CAS Name: 2-(4-acetylphenyl)-6a,9a-dichloro-6-(2-hydroxyphenyl)-8-methyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 2-(4-acetylphenyl)-6a,9a-dichloro-6-(2-hydroxyphenyl)-8-methyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 2-(4-acetylphenyl)-6a,9a-dichloro-6-(2-hydroxyphenyl)-8-methyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-2-(4-ethanoylphenyl)-6-(2-hydroxyphenyl)-8-methyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C29H24Cl2N2O6
MOLECULAR WEIGHT: 567.41666
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5(C(=O)N(C(=O)C5(C4C6=CC=CC=C6O)Cl)C)Cl
Structure:

CAS RN: 5620-88-2
CAS Name: 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-pentan-3-ylacetamide
OPENEYE Name: 2-[(3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1-ethylpropyl)acetamide
IUPAC Name: 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[(7-methyl-4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C21H29N3O2S2
MOLECULAR WEIGHT: 419.60386
SMILES: CCC(CC)NC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1CC=C
Structure:

CAS RN: 5165-11-7
CAS Name: [(2,6-dimethoxy-3-pyridinyl)methylideneamino]thiourea
OPENEYE Name: [(2,6-dimethoxy-3-pyridyl)methyleneamino]thiourea
IUPAC Name: [(2,6-dimethoxypyridin-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2,6-dimethoxypyridin-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C9H12N4O2S
MOLECULAR WEIGHT: 240.28218
SMILES: COC1=NC(=C(C=C1)C=NNC(=S)N)OC
Structure:

CAS RN: 5695-48-7
CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester
OPENEYE Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-(6-methoxybenzofuran-3-yl)acetate
IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SYSTEMATIC NAME: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate
MOLECULAR FORMULA: C20H17Cl2NO5
MOLECULAR WEIGHT: 422.25868
SMILES: CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)CC2=COC3=C2C=CC(=C3)OC
Structure:

CAS RN: 5142-65-4
CAS Name: 1-[(2-methylphenyl)-(2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid
OPENEYE Name: 1-[(2-benzyloxyphenyl)-(o-tolyl)methyl]piperidine-2-carboxylic acid
IUPAC Name: 1-[(2-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C27H29NO3
MOLECULAR WEIGHT: 415.52406
SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O
Structure:

CAS RN: 6766-40-1
CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(3-methoxypropyl)acetamide
OPENEYE Name: 2-[3-(4-methoxyphenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
IUPAC Name: 2-[3-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
SYSTEMATIC NAME: 2-[3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide
MOLECULAR FORMULA: C19H21N3O4S2
MOLECULAR WEIGHT: 419.51774
SMILES: COCCCNC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SC=C2
Structure:

CAS RN: 6766-39-8
CAS Name: N-butyl-2-[[3-(4-methoxyphenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-methylacetamide
OPENEYE Name: N-butyl-2-[3-(4-methoxyphenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-methyl-acetamide
IUPAC Name: N-butyl-2-[3-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
SYSTEMATIC NAME: N-butyl-2-[3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-methyl-ethanamide
MOLECULAR FORMULA: C20H23N3O3S2
MOLECULAR WEIGHT: 417.54492
SMILES: CCCCN(C)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SC=C2
Structure:

CAS RN: 6821-83-6
CAS Name: 2-[4-(2,3-dihydro-1H-perimidin-2-yl)phenoxy]-N-phenylacetamide
OPENEYE Name: 2-[4-(2,3-dihydro-1H-perimidin-2-yl)phenoxy]-N-phenyl-acetamide
IUPAC Name: 2-[4-(2,3-dihydro-1H-perimidin-2-yl)phenoxy]-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(2,3-dihydro-1H-perimidin-2-yl)phenoxy]-N-phenyl-ethanamide
MOLECULAR FORMULA: C25H21N3O2
MOLECULAR WEIGHT: 395.45314
SMILES: C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C3NC4=CC=CC5=C4C(=CC=C5)N3
Structure:

CAS RN: 5008-26-4
CAS Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]-(1-piperazinyl)methyl]quinoline
OPENEYE Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]-piperazin-1-yl-methyl]quinoline
IUPAC Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]-piperazin-1-ylmethyl]quinoline
SYSTEMATIC NAME: 2-[[2-chloranyl-5-(trifluoromethyl)phenyl]-piperazin-1-yl-methyl]quinoline
MOLECULAR FORMULA: C21H19ClF3N3
MOLECULAR WEIGHT: 405.84387
SMILES: C1CN(CCN1)C(C2=NC3=CC=CC=C3C=C2)C4=C(C=CC(=C4)C(F)(F)F)Cl
Structure:

CAS RN: 5008-25-3
CAS Name: 2-[1-piperazinyl-[4-(trifluoromethyl)phenyl]methyl]quinoline
OPENEYE Name: 2-[piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinoline
IUPAC Name: 2-[piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinoline
SYSTEMATIC NAME: 2-[piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinoline
MOLECULAR FORMULA: C21H20F3N3
MOLECULAR WEIGHT: 371.39881
SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4C=C3
Structure:

CAS RN: 6790-42-7
CAS Name: 2-[(2-bromo-6-benzimidazolo[1,2-c]quinazolinyl)thio]-N-(3-methylbutyl)acetamide
OPENEYE Name: 2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-isopentyl-acetamide
IUPAC Name: 2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(3-methylbutyl)acetamide
SYSTEMATIC NAME: 2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(3-methylbutyl)ethanamide
MOLECULAR FORMULA: C21H21BrN4OS
MOLECULAR WEIGHT: 457.38664
SMILES: CC(C)CCNC(=O)CSC1=NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N31
Structure:

CAS RN: 5754-59-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H52N2O12
MOLECULAR WEIGHT: 800.88988
SMILES: CC1C2C=C(C(=CC2CCN1C(=O)C3=CC4=C(C=C3)OCCOCCOC5=C(C=C(C=C5)C(=O)N6CCC7=CC(=C(C=C7C6C)OC)O)OCCOCCO4)O)OC
Structure:

No comments:

Post a Comment