Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-2-(4-ethylphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethylphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethylphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-2-(4-ethylphenyl)-8-[(4-fluorophenyl)amino]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C42H37ClFN3O6
MOLECULAR WEIGHT: 734.211083
SMILES: CCC1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=CC(=C(C=C6)O)OCC)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
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Product OPENEYE NAME: 4-nitro-N-[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]benzamide
CAS Name: 4-nitro-N-[4-(4-phenylphenyl)-5-propyl-2-thiazolyl]benzamide
IUPAC NAME: 4-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C25H21N3O3S
MOLECULAR WEIGHT: 443.51754
SMILES: CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[butyl(methyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide
CAS Name: 4-[butyl(methyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]benzamide
IUPAC NAME: 4-[butyl(methyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-[butyl(methyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C24H29N3O3S2
MOLECULAR WEIGHT: 471.63536
SMILES: CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3C)C)C
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Product OPENEYE NAME: 4-(dimethylamino)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-(dimethylamino)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-(dimethylamino)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C19H21N3O2S
MOLECULAR WEIGHT: 355.45394
SMILES: CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)N(C)C)OC
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Product OPENEYE NAME: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(2-iodobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CAS Name: 3-(1,3-benzothiazol-2-yl)-2-[[(2-iodophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(2-iodobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(2-iodanylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
MOLECULAR FORMULA: C24H20IN3O3S2
MOLECULAR WEIGHT: 589.46837
SMILES: CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5I
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Product OPENEYE NAME: 5,5,7,7-tetramethyl-2-[(3-phenoxybenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CAS Name: 5,5,7,7-tetramethyl-2-[[oxo-(3-phenoxyphenyl)methyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
IUPAC NAME: 5,5,7,7-tetramethyl-2-[(3-phenoxybenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SYSTEMATIC NAME: 5,5,7,7-tetramethyl-2-[(3-phenoxyphenyl)carbonylamino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
MOLECULAR FORMULA: C25H27N3O3S
MOLECULAR WEIGHT: 449.56518
SMILES: CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C
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Product OPENEYE NAME: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide
IUPAC NAME: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide
MOLECULAR FORMULA: C27H28N4O6S2
MOLECULAR WEIGHT: 568.66442
SMILES: CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCOCC
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Product OPENEYE NAME: ethyl 4-[4-[[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CAS Name: 4-[4-[[[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[4-[[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[4-[[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C27H34N4O7S2
MOLECULAR WEIGHT: 590.71146
SMILES: CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC
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Product OPENEYE NAME: N-(3-allyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CAS Name: 4-(dimethylamino)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-(dimethylamino)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C19H19N3OS
MOLECULAR WEIGHT: 337.43866
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC=C
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Product OPENEYE NAME: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide
CAS Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-oxo-1-benzopyran-3-carboxamide
IUPAC NAME: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C21H16N2O5S2
MOLECULAR WEIGHT: 440.49214
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4OC3=O)S2)CC=C
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Product OPENEYE NAME: 4-fluoro-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-fluoro-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-fluoro-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C18H13FN2OS
MOLECULAR WEIGHT: 324.372023
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)F)S2)CC#C
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Product OPENEYE NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxy-benzamide
CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
IUPAC NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
SYSTEMATIC NAME: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxy-benzamide
MOLECULAR FORMULA: C19H15ClN2O2S
MOLECULAR WEIGHT: 370.8526
SMILES: CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C
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Product OPENEYE NAME: 3,4-dimethyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 3,4-dimethyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 3,4-dimethyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 3,4-dimethyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C19H17N3O3S2
MOLECULAR WEIGHT: 399.48658
SMILES: CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C)C
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Product OPENEYE NAME: methyl 2-[6-methyl-2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-methyl-2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C24H27N3O5S2
MOLECULAR WEIGHT: 501.61828
SMILES: CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C)CC(=O)OC
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Product OPENEYE NAME: methyl 2-[6-bromo-2-[3-(3-nitrophenyl)prop-2-enoylimino]-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-bromo-2-[3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-bromo-2-[3-(3-nitrophenyl)prop-2-enoylimino]-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-bromanyl-2-[3-(3-nitrophenyl)prop-2-enoylimino]-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C19H14BrN3O5S
MOLECULAR WEIGHT: 476.30056
SMILES: COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[2-(2-chloro-5-nitro-benzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C17H13ClN4O7S2
MOLECULAR WEIGHT: 484.89072
SMILES: COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C26H30N2O6S
MOLECULAR WEIGHT: 498.5912
SMILES: CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC(=O)OCC
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Product OPENEYE NAME: ethyl 2-[6-fluoro-2-[4-(1-piperidylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-fluoro-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-fluoro-2-(4-piperidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-fluoranyl-2-(4-piperidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C23H24FN3O5S2
MOLECULAR WEIGHT: 505.582163
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4
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