CAS RN: 19687-84-4
CAS Name: N-[4-[1-(carbamothioylhydrazinylidene)ethyl]phenyl]-2,2-dichloroacetamide
OPENEYE Name: N-[4-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]-2,2-dichloro-acetamide
IUPAC Name: N-[4-[N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl]-2,2-dichloroacetamide
SYSTEMATIC NAME: N-[4-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]-2,2-bis(chloranyl)ethanamide
MOLECULAR FORMULA: C11H12Cl2N4OS
MOLECULAR WEIGHT: 319.21018
SMILES: CC(=NNC(=S)N)C1=CC=C(C=C1)NC(=O)C(Cl)Cl
Structure:
CAS RN: 5867-53-8
CAS Name: 1-(3-chlorophenyl)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]pyrazolidine-3,5-dione
OPENEYE Name: 1-(3-chlorophenyl)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylene]pyrazolidine-3,5-dione
IUPAC Name: 1-(3-chlorophenyl)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]pyrazolidine-3,5-dione
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]pyrazolidine-3,5-dione
MOLECULAR FORMULA: C24H17Cl3N2O4
MOLECULAR WEIGHT: 503.76178
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)Cl)OCC4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 5907-35-7
CAS Name: 2-(4-chlorophenoxy)-N-[4-[4-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide
OPENEYE Name: 2-(4-chlorophenoxy)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide
IUPAC Name: 2-(4-chlorophenoxy)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]ethanamide
MOLECULAR FORMULA: C29H27ClN4O4
MOLECULAR WEIGHT: 531.00208
SMILES: COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=C(C=C4)NC(=O)COC5=CC=C(C=C5)Cl
Structure:
CAS RN: 5904-90-5
CAS Name: N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
OPENEYE Name: N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-methyl-N-sec-butyl-benzamide
IUPAC Name: N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
SYSTEMATIC NAME: N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-methyl-benzamide
MOLECULAR FORMULA: C23H33N3O3
MOLECULAR WEIGHT: 399.52642
SMILES: CCC(C)N(CC(=O)N(CCOC)CC1=CC=CN1C)C(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 25791-57-5
CAS Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-(methylamino)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-(methylamino)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-(methylamino)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-4-(methylamino)-3-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H15N5O3S
MOLECULAR WEIGHT: 297.3335
SMILES: CNC1C(OC(C1O)N2C=NC3=C2NC=NC3=S)CO
Structure:
CAS RN: 7226-55-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H21NS4
MOLECULAR WEIGHT: 511.74374
SMILES: CCCCC1=C2C(=NC3=C1SC4=CC5=CC=CC=C5C=C4S3)SC6=CC7=CC=CC=C7C=C6S2
Structure:
CAS RN: 5519-98-2
CAS Name: N-(3-chlorophenyl)-4-[2-(1-cyclohex-3-enylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
OPENEYE Name: N-(3-chlorophenyl)-4-[2-(cyclohex-3-en-1-ylmethylene)hydrazino]-3-nitro-benzenesulfonamide
IUPAC Name: N-(3-chlorophenyl)-4-[2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C19H19ClN4O4S
MOLECULAR WEIGHT: 434.89656
SMILES: C1CC(CC=C1)C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5520-41-2
CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[(4-nitrophenyl)methyl]-4-piperidinamine
OPENEYE Name: N-(2-methoxy-5-nitro-phenyl)-1-[(4-nitrophenyl)methyl]piperidin-4-amine
IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-[(4-nitrophenyl)methyl]piperidin-4-amine
SYSTEMATIC NAME: N-(2-methoxy-5-nitro-phenyl)-1-[(4-nitrophenyl)methyl]piperidin-4-amine
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5269-67-0
CAS Name: 2-[(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-5-(1-piperidinyl)-4-oxazolecarbonitrile
OPENEYE Name: 2-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-5-(1-piperidyl)oxazole-4-carbonitrile
IUPAC Name: 2-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SYSTEMATIC NAME: 2-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
MOLECULAR FORMULA: C14H14N4O2S2
MOLECULAR WEIGHT: 334.41656
SMILES: CN1C(=O)C(=CC2=NC(=C(O2)N3CCCCC3)C#N)SC1=S
Structure:
CAS RN: 6562-22-7
CAS Name: 2-(4-fluorophenyl)-N-[3-(2-furanylmethylsulfamoyl)phenyl]-4-quinolinecarboxamide
OPENEYE Name: 2-(4-fluorophenyl)-N-[3-(2-furylmethylsulfamoyl)phenyl]quinoline-4-carboxamide
IUPAC Name: 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C27H20FN3O4S
MOLECULAR WEIGHT: 501.528803
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CO5
Structure:
CAS RN: 82191-97-7
CAS Name: 9-tetradecyl-3H-purine-6-thione
OPENEYE Name: 9-tetradecyl-3H-purine-6-thione
IUPAC Name: 9-tetradecyl-3H-purine-6-thione
SYSTEMATIC NAME: 9-tetradecyl-3H-purine-6-thione
MOLECULAR FORMULA: C19H32N4S
MOLECULAR WEIGHT: 348.54918
SMILES: CCCCCCCCCCCCCCN1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 6280-26-8
CAS Name: 2-[6-acetamido-2-[oxo-(4-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[6-acetamido-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
IUPAC Name: ethyl 2-[6-acetamido-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-acetamido-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C26H23N3O5S
MOLECULAR WEIGHT: 489.54292
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
Structure:
CAS RN: 5403-84-9
CAS Name: 2-amino-4-[5-chloro-2-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-[2-[2-(benzylamino)-2-oxo-ethoxy]-5-chloro-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-[5-chloranyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C29H31ClN2O6
MOLECULAR WEIGHT: 539.01924
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Cl)OCC(=O)NCC4=CC=CC=C4)C(=O)CC(C2)(C)C)N
Structure:
CAS RN: 5403-23-6
CAS Name: 4-[5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-3-cyano-2-oxo-1-pyridinyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[5-(5-bromo-2-hydroxy-benzoyl)-3-cyano-2-oxo-1-pyridyl]benzoate
IUPAC Name: ethyl 4-[5-(5-bromo-2-hydroxybenzoyl)-3-cyano-2-oxopyridin-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-3-cyano-2-oxidanylidene-pyridin-1-yl]benzoate
MOLECULAR FORMULA: C22H15BrN2O5
MOLECULAR WEIGHT: 467.2689
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O
Structure:
CAS RN: 6714-67-6
CAS Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate
OPENEYE Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
IUPAC Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C13H11N4O4S-
MOLECULAR WEIGHT: 319.31584
SMILES: C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 7226-54-2
CAS Name: 1,3,3,4,4-pentakis-phenyl-2-azetidinone
OPENEYE Name: 1,3,3,4,4-pentakis-phenylazetidin-2-one
IUPAC Name: 1,3,3,4,4-pentakis-phenylazetidin-2-one
SYSTEMATIC NAME: 1,3,3,4,4-pentakis-phenylazetidin-2-one
MOLECULAR FORMULA: C33H25NO
MOLECULAR WEIGHT: 451.5577
SMILES: C1=CC=C(C=C1)C2(C(=O)N(C2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 7226-53-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16N6S6+2
MOLECULAR WEIGHT: 508.74984
SMILES: C1C2=[NH+]C(=CC=C2)CSC3=NN=C(S3)SCC4=CC=CC(=[NH+]4)CSC5=NN=C(S1)S5
Structure:
CAS RN: 7226-52-0
CAS Name: 2,2-dichloro-6-methoxy-3,4-dihydronaphthalen-1-one
OPENEYE Name: 2,2-dichloro-6-methoxy-tetralin-1-one
IUPAC Name: 2,2-dichloro-6-methoxy-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: 2,2-bis(chloranyl)-6-methoxy-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C11H10Cl2O2
MOLECULAR WEIGHT: 245.1019
SMILES: COC1=CC2=C(C=C1)C(=O)C(CC2)(Cl)Cl
Structure:
CAS RN: 5803-07-6
CAS Name: N-tert-butyl-N'-(2,4-dimethoxyphenyl)-2-nitropropane-1,3-diimine
OPENEYE Name: N-tert-butyl-N'-(2,4-dimethoxyphenyl)-2-nitro-propane-1,3-diimine
IUPAC Name: N-tert-butyl-N'-(2,4-dimethoxyphenyl)-2-nitropropane-1,3-diimine
SYSTEMATIC NAME: N-tert-butyl-N'-(2,4-dimethoxyphenyl)-2-nitro-propane-1,3-diimine
MOLECULAR FORMULA: C15H21N3O4
MOLECULAR WEIGHT: 307.34494
SMILES: CC(C)(C)N=CC(C=NC1=C(C=C(C=C1)OC)OC)[N+](=O)[O-]
Structure:
CAS RN: 5800-62-4
CAS Name: N-[5-(4-chlorophenyl)-4-(trifluoromethyl)-2-thiazolyl]-N-(2,4-dimethylphenyl)-3-methoxybenzamide
OPENEYE Name: N-[5-(4-chlorophenyl)-4-(trifluoromethyl)thiazol-2-yl]-N-(2,4-dimethylphenyl)-3-methoxy-benzamide
IUPAC Name: N-[5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)-3-methoxybenzamide
SYSTEMATIC NAME: N-[5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)-3-methoxy-benzamide
MOLECULAR FORMULA: C26H20ClF3N2O2S
MOLECULAR WEIGHT: 516.96241
SMILES: CC1=CC(=C(C=C1)N(C2=NC(=C(S2)C3=CC=C(C=C3)Cl)C(F)(F)F)C(=O)C4=CC(=CC=C4)OC)C
Structure:
CAS RN: 6629-93-2
CAS Name: 2-[[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetate
IUPAC Name: ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate
SYSTEMATIC NAME: ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate
MOLECULAR FORMULA: C13H15N5O4S
MOLECULAR WEIGHT: 337.3543
SMILES: CCOC(=O)CSC1=NC2=C(N1CC#N)C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 114214-69-6
CAS Name: 3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CC(C)(C)OC(=O)N1CCC(C1)CO
Structure:
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