Saturday, October 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [[amino-(4-tert-butylphenyl)methylene]amino] 2-methyl-5-morpholinosulfonyl-furan-3-carboxylate
CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)-3-furancarboxylic acid [[amino-(4-tert-butylphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(4-tert-butylphenyl)methylidene]amino] 2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxylate
SYSTEMATIC NAME: [[azanyl-(4-tert-butylphenyl)methylidene]amino] 2-methyl-5-morpholin-4-ylsulfonyl-furan-3-carboxylate
MOLECULAR FORMULA: C21H27N3O6S
MOLECULAR WEIGHT: 449.52058
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C(=O)ON=C(C3=CC=C(C=C3)C(C)(C)C)N
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Product OPENEYE NAME: 4-[[4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-2-furyl]sulfonyl]morpholine
CAS Name: 4-[[4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-2-furanyl]sulfonyl]morpholine
IUPAC NAME: 4-[4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylfuran-2-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-furan-2-yl]sulfonylmorpholine
MOLECULAR FORMULA: C21H25N3O5S
MOLECULAR WEIGHT: 431.5053
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C3=NC(=NO3)C4=CC=C(C=C4)C(C)(C)C
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Product OPENEYE NAME: [[amino-(4-tert-butylphenyl)methylene]amino] 2,3-dihydrobenzofuran-5-carboxylate
CAS Name: 2,3-dihydrobenzofuran-5-carboxylic acid [[amino-(4-tert-butylphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(4-tert-butylphenyl)methylidene]amino] 2,3-dihydro-1-benzofuran-5-carboxylate
SYSTEMATIC NAME: [[azanyl-(4-tert-butylphenyl)methylidene]amino] 2,3-dihydro-1-benzofuran-5-carboxylate
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=NOC(=O)C2=CC3=C(C=C2)OCC3)N
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Product OPENEYE NAME: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-methyl-furan-3-carboxamide
CAS Name: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-methyl-3-furancarboxamide
IUPAC NAME: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-methylfuran-3-carboxamide
SYSTEMATIC NAME: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-methyl-furan-3-carboxamide
MOLECULAR FORMULA: C14H15FN2O4S
MOLECULAR WEIGHT: 326.343303
SMILES: CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-butyl-5-(dimethylsulfamoyl)-2-methyl-furan-3-carboxamide
CAS Name: N-butyl-5-(dimethylsulfamoyl)-2-methyl-3-furancarboxamide
IUPAC NAME: N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
SYSTEMATIC NAME: N-butyl-5-(dimethylsulfamoyl)-2-methyl-furan-3-carboxamide
MOLECULAR FORMULA: C12H20N2O4S
MOLECULAR WEIGHT: 288.3632
SMILES: CCCCNC(=O)C1=C(OC(=C1)S(=O)(=O)N(C)C)C
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Product OPENEYE NAME: 5-(dimethylsulfamoyl)-2-methyl-N-phenyl-furan-3-carboxamide
CAS Name: 5-(dimethylsulfamoyl)-2-methyl-N-phenyl-3-furancarboxamide
IUPAC NAME: 5-(dimethylsulfamoyl)-2-methyl-N-phenylfuran-3-carboxamide
SYSTEMATIC NAME: 5-(dimethylsulfamoyl)-2-methyl-N-phenyl-furan-3-carboxamide
MOLECULAR FORMULA: C14H16N2O4S
MOLECULAR WEIGHT: 308.35284
SMILES: CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 2-[2-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C14H15N3O6S2
MOLECULAR WEIGHT: 385.4154
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC(=O)O
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Product OPENEYE NAME: 3,3-dimethyl-5-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]-5-oxo-pentanoic acid
CAS Name: 3,3-dimethyl-5-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-5-oxopentanoic acid
IUPAC NAME: 3,3-dimethyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxopentanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-5-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C17H21N3O6S
MOLECULAR WEIGHT: 395.43014
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(C)(C)CC(=O)O
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Product OPENEYE NAME: 4-[(1,3-dioxoisoindolin-2-yl)methylamino]-N-(5-methylisoxazol-3-yl)benzenesulfonamide
CAS Name: 4-[(1,3-dioxo-2-isoindolyl)methylamino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
IUPAC NAME: 4-[(1,3-dioxoisoindol-2-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C19H16N4O5S
MOLECULAR WEIGHT: 412.41914
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 5-[(2-acetyl-3-thienyl)amino]-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-[(2-acetyl-3-thiophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-[(2-acetylthiophen-3-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(2-ethanoylthiophen-3-yl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CC(=O)C1=C(C=CS1)NC(=O)CC(C)(C)CC(=O)O
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N'-[4-(trifluoromethoxy)benzoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CAS Name: 1-(4-chlorophenyl)-N'-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-5-(trifluoromethyl)-4-pyrazolecarbohydrazide
IUPAC NAME: 1-(4-chlorophenyl)-N'-[4-(trifluoromethoxy)benzoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-5-(trifluoromethyl)-N'-[4-(trifluoromethyloxy)phenyl]carbonyl-pyrazole-4-carbohydrazide
MOLECULAR FORMULA: C19H11ClF6N4O3
MOLECULAR WEIGHT: 492.759059
SMILES: C1=CC(=CC=C1C(=O)NNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)OC(F)(F)F
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Product OPENEYE NAME: N'-(4-chlorobenzoyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CAS Name: 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)-oxomethyl]-5-(trifluoromethyl)-4-pyrazolecarbohydrazide
IUPAC NAME: N'-(4-chlorobenzoyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N'-(4-chlorophenyl)carbonyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
MOLECULAR FORMULA: C18H11Cl2F3N4O2
MOLECULAR WEIGHT: 443.20675
SMILES: C1=CC(=CC=C1C(=O)NNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)Cl
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Product OPENEYE NAME: methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate
CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C11H15NO3S
MOLECULAR WEIGHT: 241.3067
SMILES: CC(C)(C)C(=O)NC1=C(SC=C1)C(=O)OC
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Product OPENEYE NAME: methyl 3-(2,2-dimethylpropanoylamino)-4-methyl-thiophene-2-carboxylate
CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(2,2-dimethylpropanoylamino)-4-methylthiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(2,2-dimethylpropanoylamino)-4-methyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C12H17NO3S
MOLECULAR WEIGHT: 255.33328
SMILES: CC1=CSC(=C1NC(=O)C(C)(C)C)C(=O)OC
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Product OPENEYE NAME: methyl 5-[(2-methoxycarbonyl-3-thienyl)sulfamoyl]-2-methyl-furan-3-carboxylate
CAS Name: 5-[(2-methoxycarbonyl-3-thiophenyl)sulfamoyl]-2-methyl-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[(2-methoxycarbonylthiophen-3-yl)sulfamoyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-[(2-methoxycarbonylthiophen-3-yl)sulfamoyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C13H13NO7S2
MOLECULAR WEIGHT: 359.37482
SMILES: CC1=C(C=C(O1)S(=O)(=O)NC2=C(SC=C2)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: 3-(2-thioxo-3H-benzimidazol-1-yl)propanenitrile
CAS Name: 3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanenitrile
IUPAC NAME: 3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanenitrile
MOLECULAR FORMULA: C10H9N3S
MOLECULAR WEIGHT: 203.26356
SMILES: C1=CC=C2C(=C1)NC(=S)N2CCC#N
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Product OPENEYE NAME: N-(cyclopropylmethyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CAS Name: N-(cyclopropylmethyl)-5-(methylthio)-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-(cyclopropylmethyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-(cyclopropylmethyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H11N3S2
MOLECULAR WEIGHT: 201.31234
SMILES: CSC1=NN=C(S1)NCC2CC2
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Product OPENEYE NAME: N-[2-(benzothiophen-3-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxamide
CAS Name: N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
IUPAC NAME: N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-[2-(1-benzothiophen-3-yl)ethyl]-3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C21H16Cl2N2O2S
MOLECULAR WEIGHT: 431.33494
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCCC3=CSC4=CC=CC=C43
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Product OPENEYE NAME: 1-(1,2-diphenylethyl)-3-[(4-fluorophenyl)methyl]thiourea
CAS Name: 1-(1,2-diphenylethyl)-3-[(4-fluorophenyl)methyl]thiourea
IUPAC NAME: 1-(1,2-diphenylethyl)-3-[(4-fluorophenyl)methyl]thiourea
SYSTEMATIC NAME: 1-(1,2-diphenylethyl)-3-[(4-fluorophenyl)methyl]thiourea
MOLECULAR FORMULA: C22H21FN2S
MOLECULAR WEIGHT: 364.478943
SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(4-tert-butylphenyl)-4-(3,5-dioxothiomorpholin-4-yl)benzamide
CAS Name: N-(4-tert-butylphenyl)-4-(3,5-dioxo-4-thiomorpholinyl)benzamide
IUPAC NAME: N-(4-tert-butylphenyl)-4-(3,5-dioxothiomorpholin-4-yl)benzamide
SYSTEMATIC NAME: 4-[3,5-bis(oxidanylidene)thiomorpholin-4-yl]-N-(4-tert-butylphenyl)benzamide
MOLECULAR FORMULA: C21H22N2O3S
MOLECULAR WEIGHT: 382.47598
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)CSCC3=O
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Product OPENEYE NAME: 4-(4-tert-butylanilino)-4-oxo-but-2-enoic acid
CAS Name: 4-(4-tert-butylanilino)-4-oxo-2-butenoic acid
IUPAC NAME: 4-(4-tert-butylanilino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[(4-tert-butylphenyl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)C=CC(=O)O
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Product OPENEYE NAME: methyl 5-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyfuran-2-carboxylate
CAS Name: 5-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)oxy]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyfuran-2-carboxylate
SYSTEMATIC NAME: methyl 5-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyfuran-2-carboxylate
MOLECULAR FORMULA: C18H12N2O4S
MOLECULAR WEIGHT: 352.36388
SMILES: COC(=O)C1=CC=C(O1)OC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4
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Product OPENEYE NAME: N-(2-phenylethyl)thiatriazol-5-amine
CAS Name: N-(2-phenylethyl)-5-thiatriazolamine
IUPAC NAME: N-(2-phenylethyl)thiatriazol-5-amine
SYSTEMATIC NAME: N-(2-phenylethyl)-1,2,3,4-thiatriazol-5-amine
MOLECULAR FORMULA: C9H10N4S
MOLECULAR WEIGHT: 206.2675
SMILES: C1=CC=C(C=C1)CCNC2=NN=NS2
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Product OPENEYE NAME: 4-(5-chlorobenzofuran-2-yl)-2-methyl-thiazole
CAS Name: 4-(5-chloro-2-benzofuranyl)-2-methylthiazole
IUPAC NAME: 4-(5-chloro-1-benzofuran-2-yl)-2-methyl-1,3-thiazole
SYSTEMATIC NAME: 4-(5-chloranyl-1-benzofuran-2-yl)-2-methyl-1,3-thiazole
MOLECULAR FORMULA: C12H8ClNOS
MOLECULAR WEIGHT: 249.71602
SMILES: CC1=NC(=CS1)C2=CC3=C(O2)C=CC(=C3)Cl
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