Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(3-methylsulfanylpropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C15H23N3O2S3
MOLECULAR WEIGHT: 373.55702
SMILES: CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(4-fluorophenyl)methyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H23FN3O3S+
MOLECULAR WEIGHT: 392.467623
SMILES: C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(4-fluorophenyl)methyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H22FN3O3S
MOLECULAR WEIGHT: 391.459683
SMILES: C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H14N2O5S
MOLECULAR WEIGHT: 358.36846
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl 4-chloro-3-sulfamoyl-benzoate
CAS Name: 4-chloro-3-sulfamoylbenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-chloro-3-sulfamoylbenzoate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-chloranyl-3-sulfamoyl-benzoate
MOLECULAR FORMULA: C15H11ClN2O5S2
MOLECULAR WEIGHT: 398.84124
SMILES: C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
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Product OPENEYE NAME: 2-(dimethylamino)-N-(3,4-dimethylphenyl)-5-nitro-benzamide
CAS Name: 2-(dimethylamino)-N-(3,4-dimethylphenyl)-5-nitrobenzamide
IUPAC NAME: 2-(dimethylamino)-N-(3,4-dimethylphenyl)-5-nitrobenzamide
SYSTEMATIC NAME: 2-(dimethylamino)-N-(3,4-dimethylphenyl)-5-nitro-benzamide
MOLECULAR FORMULA: C17H19N3O3
MOLECULAR WEIGHT: 313.35106
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C)C
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-tetralin-1-yl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide
MOLECULAR FORMULA: C22H28N3O3S+
MOLECULAR WEIGHT: 414.54102
SMILES: C1C[C@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-tetralin-1-yl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide
MOLECULAR FORMULA: C22H27N3O3S
MOLECULAR WEIGHT: 413.53308
SMILES: C1C[C@H](C2=CC=CC=C2C1)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(difluoromethoxy)-N-(3,4-dimethylphenyl)-3-ethoxy-benzamide
CAS Name: 4-(difluoromethoxy)-N-(3,4-dimethylphenyl)-3-ethoxybenzamide
IUPAC NAME: 4-(difluoromethoxy)-N-(3,4-dimethylphenyl)-3-ethoxybenzamide
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]-N-(3,4-dimethylphenyl)-3-ethoxy-benzamide
MOLECULAR FORMULA: C18H19F2NO3
MOLECULAR WEIGHT: 335.345166
SMILES: CCOC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)C)C)OC(F)F
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Product OPENEYE NAME: methyl 6-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]hexanoate
CAS Name: 6-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl 6-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]hexanoate
SYSTEMATIC NAME: methyl 6-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]hexanoate
MOLECULAR FORMULA: C18H27N3O4S2
MOLECULAR WEIGHT: 413.55468
SMILES: COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-[(1R,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-[(1R,2R)-2-methylcyclohexyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-[(1R,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
SYSTEMATIC NAME: N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H27N3O2S2
MOLECULAR WEIGHT: 381.55588
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]thio]-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C19H21N3OS
MOLECULAR WEIGHT: 339.45454
SMILES: CC1=C(C=C(C=C1)NC(=O)CS[C@@H](C)C2=NC3=CC=CC=C3N2)C
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Product OPENEYE NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-nitrophenyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(2-nitrophenyl)-2-propenamide
IUPAC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C18H17FN2O3S
MOLECULAR WEIGHT: 360.402583
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])F
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-[(1R,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-[(1R,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-[(1R,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide
SYSTEMATIC NAME: N-[(1R,2S)-2-methylcyclohexyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H27N3O2S2
MOLECULAR WEIGHT: 381.55588
SMILES: C[C@H]1CCCC[C@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-tetralin-1-yl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide
MOLECULAR FORMULA: C22H28N3O3S+
MOLECULAR WEIGHT: 414.54102
SMILES: C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S)-tetralin-1-yl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide
MOLECULAR FORMULA: C22H27N3O3S
MOLECULAR WEIGHT: 413.53308
SMILES: C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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