Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(1-cyanocyclopentyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)ethanamide
MOLECULAR FORMULA: C18H23ClN4O3S
MOLECULAR WEIGHT: 410.91822
SMILES: C1CCC(C1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-isopropyl-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]-3-propan-2-ylthiourea
IUPAC NAME: 1-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]-3-propan-2-ylthiourea
SYSTEMATIC NAME: 1-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]-3-propan-2-yl-thiourea
MOLECULAR FORMULA: C15H20N4OS
MOLECULAR WEIGHT: 304.4105
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NC(C)C)/C1=O
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate
CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C22H26N4O3
MOLECULAR WEIGHT: 394.46684
SMILES: CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@@H](C)C(=O)NC3=C(N(N=C3C)C)C
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Product OPENEYE NAME: (3S)-1-benzyl-N-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-N-(3,4-dimethylphenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-benzyl-N-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(3,4-dimethylphenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3)C
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Product OPENEYE NAME: N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]-2-furancarboxamide
IUPAC NAME: N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]furan-2-carboxamide
MOLECULAR FORMULA: C16H17FN2O3S
MOLECULAR WEIGHT: 336.381183
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)CNC(=O)C2=CC=CO2)F
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide
CAS Name: N-[[[(2R)-butan-2-yl]amino]-oxomethyl]-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H26ClN4O4S+
MOLECULAR WEIGHT: 417.93074
SMILES: CC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide
CAS Name: N-[[[(2R)-butan-2-yl]amino]-oxomethyl]-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H25ClN4O4S
MOLECULAR WEIGHT: 416.9228
SMILES: CC[C@@H](C)NC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H19NO6S
MOLECULAR WEIGHT: 365.40086
SMILES: CN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(2-methylallyl)-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-(2-methylprop-2-enyl)-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-methylprop-2-enyl)-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-methylprop-2-enyl)-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C16H20N4OS
MOLECULAR WEIGHT: 316.4212
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCC(=C)C)/C1=O
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Product OPENEYE NAME: dimethyl-[2-[[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]carbamothioylamino]ethyl]ammonium
CAS Name: dimethyl-[2-[[[(2E)-2-(2-oxo-1-propyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[2-[[(E)-(2-oxo-1-propylindol-3-ylidene)amino]carbamothioylamino]ethyl]azanium
SYSTEMATIC NAME: dimethyl-[2-[[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]carbamothioylamino]ethyl]azanium
MOLECULAR FORMULA: C16H24N5OS+
MOLECULAR WEIGHT: 334.45966
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCC[NH+](C)C)/C1=O
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Product OPENEYE NAME: 1-[2-(dimethylamino)ethyl]-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[2-(dimethylamino)ethyl]-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-[2-(dimethylamino)ethyl]-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C16H23N5OS
MOLECULAR WEIGHT: 333.45172
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCCN(C)C)/C1=O
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Product OPENEYE NAME: 4-amino-N-(3,4-dimethylphenyl)-3-nitro-benzamide
CAS Name: 4-amino-N-(3,4-dimethylphenyl)-3-nitrobenzamide
IUPAC NAME: 4-amino-N-(3,4-dimethylphenyl)-3-nitrobenzamide
SYSTEMATIC NAME: 4-azanyl-N-(3,4-dimethylphenyl)-3-nitro-benzamide
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C
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