Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(5-phenyl-2-thioxo-1H-imidazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CAS Name: N-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
IUPAC NAME: N-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SYSTEMATIC NAME: N-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
MOLECULAR FORMULA: C17H15N3O4S2
MOLECULAR WEIGHT: 389.4487
SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NN3C=C(NC3=S)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[butyl(ethyl)sulfamoyl]-N-[4-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]thiazol-4-yl]thiazol-2-yl]benzamide
CAS Name: 4-[butyl(ethyl)sulfamoyl]-N-[4-[2-[[[4-[butyl(ethyl)sulfamoyl]phenyl]-oxomethyl]amino]-4-thiazolyl]-2-thiazolyl]benzamide
IUPAC NAME: 4-[butyl(ethyl)sulfamoyl]-N-[4-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-[butyl(ethyl)sulfamoyl]-N-[4-[2-[[4-[butyl(ethyl)sulfamoyl]phenyl]carbonylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C32H40N6O6S4
MOLECULAR WEIGHT: 732.9566
SMILES: CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CC)CCCC
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Product OPENEYE NAME: N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-5-nitro-thiophene-2-carboxamide
CAS Name: N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-5-nitro-2-thiophenecarboxamide
IUPAC NAME: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-nitro-thiophene-2-carboxamide
MOLECULAR FORMULA: C16H13N3O4S2
MOLECULAR WEIGHT: 375.42212
SMILES: CC1=C(N=C(S1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=C(C=C3)OC
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Product OPENEYE NAME: diethyl 2-[(3,4,5-triethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CAS Name: 2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 2-[(3,4,5-triethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
SYSTEMATIC NAME: diethyl 2-[(3,4,5-triethoxyphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
MOLECULAR FORMULA: C26H34N2O8S
MOLECULAR WEIGHT: 534.62176
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C(=O)OCC
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Product OPENEYE NAME: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CAS Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
IUPAC NAME: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)ethanamide
MOLECULAR FORMULA: C16H16N4O4S
MOLECULAR WEIGHT: 360.38764
SMILES: CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C(=O)CCC3=O
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3,4,5-triethoxy-benzamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3,4,5-triethoxybenzamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3,4,5-triethoxybenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-3,4,5-triethoxy-benzamide
MOLECULAR FORMULA: C31H37N3O4S2
MOLECULAR WEIGHT: 579.77318
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: 5-(1,3-benzothiazol-2-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]thiophene-2-carboxamide
CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(3-nitrophenyl)-2-thiazolyl]-2-thiophenecarboxamide
IUPAC NAME: 5-(1,3-benzothiazol-2-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-(1,3-benzothiazol-2-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C21H12N4O3S3
MOLECULAR WEIGHT: 464.53998
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[butyl(methyl)sulfamoyl]-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
CAS Name: 4-[butyl(methyl)sulfamoyl]-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
IUPAC NAME: 4-[butyl(methyl)sulfamoyl]-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
SYSTEMATIC NAME: 4-[butyl(methyl)sulfamoyl]-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
MOLECULAR FORMULA: C20H28N4O4S
MOLECULAR WEIGHT: 420.52572
SMILES: CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3CCCCC3
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Product OPENEYE NAME: N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide
CAS Name: N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide
IUPAC NAME: N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC1=C(C=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCOC)C
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Product OPENEYE NAME: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-methyl-benzamide
CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
IUPAC NAME: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
SYSTEMATIC NAME: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-methyl-benzamide
MOLECULAR FORMULA: C19H20N2O4S2
MOLECULAR WEIGHT: 404.5031
SMILES: CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC
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Product OPENEYE NAME: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methyl-propanamide
CAS Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
IUPAC NAME: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
SYSTEMATIC NAME: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methyl-propanamide
MOLECULAR FORMULA: C16H22N2O3S
MOLECULAR WEIGHT: 322.42248
SMILES: CCOC1=CC2=C(C=C1)N(C(=NC(=O)C(C)C)S2)CCOC
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Product OPENEYE NAME: [2-(3-nitrophenyl)-2-oxo-ethyl] 5-[4-(2,5-dimethylphenoxy)anilino]-5-oxo-pentanoate
CAS Name: 5-[4-(2,5-dimethylphenoxy)anilino]-5-oxopentanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3-nitrophenyl)-2-oxoethyl] 5-[4-(2,5-dimethylphenoxy)anilino]-5-oxopentanoate
SYSTEMATIC NAME: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 5-[[4-(2,5-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C27H26N2O7
MOLECULAR WEIGHT: 490.50454
SMILES: CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[2-[[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]thiazol-5-yl]acetate
CAS Name: 2-[2-[[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]-5-thiazolyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-[[3-azanyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonylamino]-1,3-thiazol-5-yl]ethanoate
MOLECULAR FORMULA: C20H15F3N4O3S3
MOLECULAR WEIGHT: 512.54831
SMILES: CCOC(=O)CC1=CN=C(S1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N
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Product OPENEYE NAME: 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
CAS Name: 1,5-dinitro-3-(phenylmethyl)-3-azabicyclo[3.3.1]nonan-7-one
IUPAC NAME: 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
SYSTEMATIC NAME: 1,5-dinitro-3-(phenylmethyl)-3-azabicyclo[3.3.1]nonan-7-one
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: C1C(=O)CC2(CC1(CN(C2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 5-(2-chlorophenyl)-2-(3-furylmethylene)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: 5-(2-chlorophenyl)-2-(3-furanylmethylidene)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
IUPAC NAME: 5-(2-chlorophenyl)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 5-(2-chlorophenyl)-2-(furan-3-ylmethylidene)-7-methyl-3-oxidanylidene-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C25H18ClN3O3S
MOLECULAR WEIGHT: 475.94672
SMILES: CC1=C(C(N2C(=O)C(=CC3=COC=C3)SC2=N1)C4=CC=CC=C4Cl)C(=O)NC5=CC=CC=C5
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Product OPENEYE NAME: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-ethylphenoxy)methyl]phenyl]methanone
CAS Name: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-ethylphenoxy)methyl]phenyl]methanone
IUPAC NAME: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-ethylphenoxy)methyl]phenyl]methanone
SYSTEMATIC NAME: [3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]-[3-[(4-ethylphenoxy)methyl]phenyl]methanone
MOLECULAR FORMULA: C21H20F4N2O3
MOLECULAR WEIGHT: 424.388713
SMILES: CCC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O
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