CAS RN: 6430-25-7
CAS Name: 4-chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol
OPENEYE Name: 4-chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol
IUPAC Name: 4-chloro-2-[1-(3,4-dimethylanilino)ethyl]phenol
SYSTEMATIC NAME: 4-chloranyl-2-[1-[(3,4-dimethylphenyl)amino]ethyl]phenol
MOLECULAR FORMULA: C16H18ClNO
MOLECULAR WEIGHT: 275.77322
SMILES: CC1=C(C=C(C=C1)NC(C)C2=C(C=CC(=C2)Cl)O)C
Structure:
CAS RN: 6792-40-1
CAS Name: 1-cycloheptyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-pyrrolidinone
OPENEYE Name: 1-cycloheptyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
IUPAC Name: 1-cycloheptyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-cycloheptyl-4-(4-phenylpiperazin-1-yl)carbonyl-pyrrolidin-2-one
MOLECULAR FORMULA: C22H31N3O2
MOLECULAR WEIGHT: 369.50044
SMILES: C1CCCC(CC1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4
Structure:
CAS RN: 6792-39-8
CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide
OPENEYE Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-isopropylphenyl)sulfanyl-quinoline-4-carboxamide
IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C27H25ClN2OS
MOLECULAR WEIGHT: 461.0182
SMILES: CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl
Structure:
CAS RN: 6363-99-1
CAS Name: 4-(4-fluorophenyl)-2-(1-oxodecylamino)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(decanoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C23H30FNO3S
MOLECULAR WEIGHT: 419.552603
SMILES: CCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OCC
Structure:
CAS RN: 39976-19-7
CAS Name: [2-(hydroxymethyl)phenyl]methyl-(phenylmethyl)ammonium
OPENEYE Name: benzyl-[[2-(hydroxymethyl)phenyl]methyl]ammonium
IUPAC Name: benzyl-[[2-(hydroxymethyl)phenyl]methyl]azanium
SYSTEMATIC NAME: [2-(hydroxymethyl)phenyl]methyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C15H18NO+
MOLECULAR WEIGHT: 228.30952
SMILES: C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2CO
Structure:
CAS RN: 6128-45-6
CAS Name: 3-[[[6-methyl-2-(methylthio)-4-pyrimidinyl]thio]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H15N5S3
MOLECULAR WEIGHT: 325.476
SMILES: CC1=CC(=NC(=N1)SC)SCC2=NNC(=S)N2CC=C
Structure:
CAS RN: 6809-13-8
CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(2-methylphenyl)-1-(phenylmethyl)thiourea
OPENEYE Name: 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(o-tolyl)thiourea
IUPAC Name: 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea
SYSTEMATIC NAME: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)-1-(phenylmethyl)thiourea
MOLECULAR FORMULA: C27H26ClN3S
MOLECULAR WEIGHT: 460.03344
SMILES: CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4Cl
Structure:
CAS RN: 6444-83-3
CAS Name: 1-[5-methoxy-3-[(4-methoxyphenyl)-oxomethyl]-2-benzofuranyl]-2-propanone
OPENEYE Name: 1-[5-methoxy-3-(4-methoxybenzoyl)benzofuran-2-yl]propan-2-one
IUPAC Name: 1-[5-methoxy-3-(4-methoxybenzoyl)-1-benzofuran-2-yl]propan-2-one
SYSTEMATIC NAME: 1-[5-methoxy-3-(4-methoxyphenyl)carbonyl-1-benzofuran-2-yl]propan-2-one
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC(=O)CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 6527-19-1
CAS Name: N-(2,3-dihydroxypropyl)-2-fluorobenzamide
OPENEYE Name: N-(2,3-dihydroxypropyl)-2-fluoro-benzamide
IUPAC Name: N-(2,3-dihydroxypropyl)-2-fluorobenzamide
SYSTEMATIC NAME: N-[2,3-bis(oxidanyl)propyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C10H12FNO3
MOLECULAR WEIGHT: 213.205583
SMILES: C1=CC=C(C(=C1)C(=O)NCC(CO)O)F
Structure:
CAS RN: 4668-45-5
CAS Name: 1-but-2-enyl-2,3,5,6-tetraphenylpyridin-1-ium
OPENEYE Name: 1-but-2-enyl-2,3,5,6-tetraphenyl-pyridin-1-ium
IUPAC Name: 1-but-2-enyl-2,3,5,6-tetraphenylpyridin-1-ium
SYSTEMATIC NAME: 1-but-2-enyl-2,3,5,6-tetraphenyl-pyridin-1-ium
MOLECULAR FORMULA: C33H28N+
MOLECULAR WEIGHT: 438.58212
SMILES: CC=CC[N+]1=C(C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 6390-72-3
CAS Name: 4-(2-chloro-4-nitroanilino)-4-oxobutanoic acid
OPENEYE Name: 4-(2-chloro-4-nitro-anilino)-4-oxo-butanoic acid
IUPAC Name: 4-(2-chloro-4-nitroanilino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(2-chloranyl-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H9ClN2O5
MOLECULAR WEIGHT: 272.64186
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)CCC(=O)O
Structure:
CAS RN: 6390-11-0
CAS Name: 2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-quinolinecarboxamide
OPENEYE Name: 2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
IUPAC Name: 2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C27H26N2O2
MOLECULAR WEIGHT: 410.50754
SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)OC
Structure:
CAS RN: 6696-56-6
CAS Name: 2-[2-[[2-[[5-(4-methoxyphenyl)-1-methyl-2-imidazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[2-[[2-[5-(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfanylacetyl]amino]thiazol-4-yl]acetate
IUPAC Name: ethyl 2-[2-[[2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-[2-[5-(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate
MOLECULAR FORMULA: C20H22N4O4S2
MOLECULAR WEIGHT: 446.54308
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC=C(N2C)C3=CC=C(C=C3)OC
Structure:
CAS RN: 6693-50-1
CAS Name: 2-[[2-[[6-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxoethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]acetyl]amino]pentanedioic acid
IUPAC Name: 2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]acetyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[2-[[6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]ethanoylamino]pentanedioic acid
MOLECULAR FORMULA: C19H36N6O7
MOLECULAR WEIGHT: 460.52514
SMILES: C(CCN)CC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N
Structure:
CAS RN: 41270-62-6
CAS Name: 2-chloro-6-phenylpyrazine
OPENEYE Name: 2-chloro-6-phenyl-pyrazine
IUPAC Name: 2-chloro-6-phenylpyrazine
SYSTEMATIC NAME: 2-chloranyl-6-phenyl-pyrazine
MOLECULAR FORMULA: C10H7ClN2
MOLECULAR WEIGHT: 190.62898
SMILES: C1=CC=C(C=C1)C2=CN=CC(=N2)Cl
Structure:
CAS RN: 6677-03-8
CAS Name: N-(3,4-dichlorophenyl)carbamic acid [4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl] ester
OPENEYE Name: [4-(allylcarbamothioylamino)phenyl] N-(3,4-dichlorophenyl)carbamate
IUPAC Name: [4-(prop-2-enylcarbamothioylamino)phenyl] N-(3,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: [4-(prop-2-enylcarbamothioylamino)phenyl] N-(3,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C17H15Cl2N3O2S
MOLECULAR WEIGHT: 396.2909
SMILES: C=CCNC(=S)NC1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 6249-90-7
CAS Name: 2-[[2-[[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[2-[(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C24H26BrN3O4S3
MOLECULAR WEIGHT: 596.57994
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)C
Structure:
CAS RN: 6133-80-8
CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C27H22F3N3O5S
MOLECULAR WEIGHT: 557.54089
SMILES: COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC(=C5)C(F)(F)F
Structure:
CAS RN: 6357-41-1
CAS Name: N-nonyl-3-bicyclo[2.2.1]heptanecarboxamide
OPENEYE Name: N-nonylnorbornane-2-carboxamide
IUPAC Name: N-nonylbicyclo[2.2.1]heptane-3-carboxamide
SYSTEMATIC NAME: N-nonylbicyclo[2.2.1]heptane-3-carboxamide
MOLECULAR FORMULA: C17H31NO
MOLECULAR WEIGHT: 265.43414
SMILES: CCCCCCCCCNC(=O)C1CC2CCC1C2
Structure:
CAS RN: 4903-87-1
CAS Name: 6-(2-fluorophenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 6-(2-fluorophenyl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 6-(2-fluorophenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 6-(2-fluorophenyl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C19H14FN5O2S
MOLECULAR WEIGHT: 395.410163
SMILES: CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4F)C5=CC=CS5
Structure:
CAS RN: 6522-10-7
CAS Name: 4-(1H-benzimidazol-2-ylthio)-3-nitrobenzamide
OPENEYE Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-benzamide
IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrobenzamide
SYSTEMATIC NAME: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-benzamide
MOLECULAR FORMULA: C14H10N4O3S
MOLECULAR WEIGHT: 314.3192
SMILES: C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 6605-86-3
CAS Name: 2-[2-(3-chlorophenyl)-3-[hydroxy-(2-methyl-4-propoxyphenyl)methylidene]-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[2-(3-chlorophenyl)-3-[hydroxy-(2-methyl-4-propoxy-phenyl)methylene]-4,5-dioxo-pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate
IUPAC Name: ethyl 2-[2-(3-chlorophenyl)-3-[hydroxy-(2-methyl-4-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(3-chlorophenyl)-3-[(2-methyl-4-propoxy-phenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C28H27ClN2O6S
MOLECULAR WEIGHT: 555.04178
SMILES: CCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC(=CC=C4)Cl)O)C
Structure:
CAS RN: 6833-53-0
CAS Name: 2-furanylmethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium
OPENEYE Name: 2-furylmethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium
IUPAC Name: furan-2-ylmethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
SYSTEMATIC NAME: furan-2-ylmethyl-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]azanium
MOLECULAR FORMULA: C14H14F3N2O2+
MOLECULAR WEIGHT: 299.26837
SMILES: C1=CC(=CC(=C1)NC(=O)C[NH2+]CC2=CC=CO2)C(F)(F)F
Structure:
CAS RN: 6833-52-9
CAS Name: diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium
OPENEYE Name: diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium
IUPAC Name: diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]azanium
MOLECULAR FORMULA: C13H18F3N2O+
MOLECULAR WEIGHT: 275.29003
SMILES: CC[NH+](CC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F
Structure:
CAS RN: 6782-13-4
CAS Name: 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide
OPENEYE Name: 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide
IUPAC Name: 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide
SYSTEMATIC NAME: 4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methyl]-N-[3-[ethyl(phenyl)amino]propyl]benzamide
MOLECULAR FORMULA: C27H28N4O3
MOLECULAR WEIGHT: 456.53622
SMILES: CCN(CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=O)C4=CC=CC=C4
Structure:
CAS RN: 6393-75-5
CAS Name: N-[1-(2,4-dimethylphenyl)ethylideneamino]nonanamide
OPENEYE Name: N-[1-(2,4-dimethylphenyl)ethylideneamino]nonanamide
IUPAC Name: N-[1-(2,4-dimethylphenyl)ethylideneamino]nonanamide
SYSTEMATIC NAME: N-[1-(2,4-dimethylphenyl)ethylideneamino]nonanamide
MOLECULAR FORMULA: C19H30N2O
MOLECULAR WEIGHT: 302.4543
SMILES: CCCCCCCCC(=O)NN=C(C)C1=C(C=C(C=C1)C)C
Structure:
CAS RN: 6393-14-2
CAS Name: N-pyridin-4-ylcarbamic acid cyclohexyl ester
OPENEYE Name: cyclohexyl N-(4-pyridyl)carbamate
IUPAC Name: cyclohexyl N-pyridin-4-ylcarbamate
SYSTEMATIC NAME: cyclohexyl N-pyridin-4-ylcarbamate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: C1CCC(CC1)OC(=O)NC2=CC=NC=C2
Structure:
CAS RN: 6809-12-7
CAS Name: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide
OPENEYE Name: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide
IUPAC Name: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
SYSTEMATIC NAME: N-cyclopentyl-5-[(4-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide
MOLECULAR FORMULA: C26H23FN2O2S
MOLECULAR WEIGHT: 446.536423
SMILES: C1CCC(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F
Structure:
CAS RN: 6792-38-7
CAS Name: N-(2-furanylmethyl)-2-[[3-(methylthio)phenyl]thio]-4-quinolinecarboxamide
OPENEYE Name: N-(2-furylmethyl)-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide
IUPAC Name: N-(furan-2-ylmethyl)-2-(3-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C22H18N2O2S2
MOLECULAR WEIGHT: 406.52052
SMILES: CSC1=CC=CC(=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4
Structure:
CAS RN: 6348-74-9
CAS Name: 1-(3-chlorophenyl)-3-[[(2,4-dichlorophenyl)-oxomethyl]amino]urea
OPENEYE Name: 1-(3-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]urea
IUPAC Name: 1-(3-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)carbonylamino]urea
MOLECULAR FORMULA: C14H10Cl3N3O2
MOLECULAR WEIGHT: 358.6071
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 4608-47-3
CAS Name: 2,6,6-trimethyl-4-bicyclo[3.1.1]heptanone oxime
OPENEYE Name: 4,6,6-trimethylnorpinan-2-one oxime
IUPAC Name: N-(2,6,6-trimethyl-4-bicyclo[3.1.1]heptanylidene)hydroxylamine
SYSTEMATIC NAME: N-(2,6,6-trimethyl-4-bicyclo[3.1.1]heptanylidene)hydroxylamine
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CC1CC(=NO)C2CC1C2(C)C
Structure:
CAS RN: 6000-24-4
CAS Name: 6-[4-[[(4-butoxyphenyl)-oxomethyl]amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid methyl ester
OPENEYE Name: methyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
IUPAC Name: methyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
SYSTEMATIC NAME: methyl 6-[4-[(4-butoxyphenyl)carbonylamino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
MOLECULAR FORMULA: C27H31N3O4S
MOLECULAR WEIGHT: 493.61774
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N=C4N3CCCS4)C)C(=O)OC
Structure:
CAS RN: 5806-32-6
CAS Name: N-[(1,3-benzothiazol-2-yliminohydrazinylidene)-(diethylamino)-phenylphosphoranyl]-N-ethylethanamine
OPENEYE Name: N-[(1,3-benzothiazol-2-yliminohydrazono)-(diethylamino)-phenyl-$l^{5}-phosphanyl]-N-ethyl-ethanamine
IUPAC Name: N-[(1,3-benzothiazol-2-yliminohydrazinylidene)-(diethylamino)-phenyl-$l^{5}-phosphanyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[(1,3-benzothiazol-2-yliminohydrazinylidene)-(diethylamino)-phenyl-$l^{5}-phosphanyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C21H29N6PS
MOLECULAR WEIGHT: 428.533921
SMILES: CCN(CC)P(=NN=NC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)N(CC)CC
Structure:
CAS RN: 5826-58-4
CAS Name: 6-[[5-(2-chlorophenyl)-2-furanyl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 6-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-heptyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C23H23ClN4O2S
MOLECULAR WEIGHT: 454.97232
SMILES: CCCCCCCC1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)C(=O)N=C2S1
Structure:
CAS RN: 5707-48-2
CAS Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone
OPENEYE Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
IUPAC Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SYSTEMATIC NAME: 2-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
MOLECULAR FORMULA: C18H20N4OS2
MOLECULAR WEIGHT: 372.5076
SMILES: CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=C3)C)C)C
Structure:
CAS RN: 6544-07-6
CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester
OPENEYE Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate
IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate
SYSTEMATIC NAME: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate
MOLECULAR FORMULA: C33H30N4O4S
MOLECULAR WEIGHT: 578.6807
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)OCCCN3C(=O)C4=C5C(=C(C=C4)N6CCCCC6)C=CC=C5C3=O)C7=CC=CC=C7
Structure:
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