Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CCC[C@@H](C)NC(=O)COC(=O)C1=CC2=CC=CC=C2OC1
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Product OPENEYE NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]butanamide
CAS Name: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
IUPAC NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
SYSTEMATIC NAME: 4-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]butanamide
MOLECULAR FORMULA: C17H28N4O4
MOLECULAR WEIGHT: 352.42862
SMILES: CCCNC(=O)[C@H](C)NC(=O)CCCN1C(=O)C2(CCCC2)NC1=O
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Product OPENEYE NAME: 3-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]oxazolidin-2-one
CAS Name: 3-[1-oxo-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C14H14N4O3S2
MOLECULAR WEIGHT: 350.41596
SMILES: C1COC(=O)N1C(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[(1R,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-[(1R,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C22H28N2S
MOLECULAR WEIGHT: 352.53612
SMILES: C[C@H]1CCCC[C@H]1NC(=S)N(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-methylbutyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H30N3O3S+
MOLECULAR WEIGHT: 368.5141
SMILES: CCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[(1S)-1-methylbutyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H29N3O3S
MOLECULAR WEIGHT: 367.50616
SMILES: CCC[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C22H28N2S
MOLECULAR WEIGHT: 352.53612
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-chloro-3-(cyclopropylsulfamoyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 4-chloro-3-(cyclopropylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 4-chloro-3-(cyclopropylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-3-(cyclopropylsulfamoyl)-N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C16H22ClN3O4S
MOLECULAR WEIGHT: 387.88158
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2CC2
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Product OPENEYE NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C22H28N2S
MOLECULAR WEIGHT: 352.53612
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-benzyl-5-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CAS Name: N-(phenylmethyl)-5-[[2-(3-thiophenyl)-4-thiazolyl]methylthio]-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-benzyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-(phenylmethyl)-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C17H14N4S4
MOLECULAR WEIGHT: 402.57986
SMILES: C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CSC(=N3)C4=CSC=C4
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Product OPENEYE NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CCC[C@H](C)NC(=O)COC(=O)C1=CC2=CC=CC=C2OC1
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Product OPENEYE NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 4-chloro-3-(cyclopropylsulfamoyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 4-chloro-3-(cyclopropylsulfamoyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 4-chloro-3-(cyclopropylsulfamoyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-3-(cyclopropylsulfamoyl)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C16H22ClN3O4S
MOLECULAR WEIGHT: 387.88158
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2CC2
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Product OPENEYE NAME: 2-[(4-fluorophenyl)carbamothioylamino]ethyl-diisopropyl-ammonium
CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium
IUPAC NAME: 2-[(4-fluorophenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium
SYSTEMATIC NAME: 2-[(4-fluorophenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium
MOLECULAR FORMULA: C15H25FN3S+
MOLECULAR WEIGHT: 298.442503
SMILES: CC(C)[NH+](CCNC(=S)NC1=CC=C(C=C1)F)C(C)C
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Product OPENEYE NAME: 1-[2-(diisopropylamino)ethyl]-3-(4-fluorophenyl)thiourea
CAS Name: 1-[2-[di(propan-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea
IUPAC NAME: 1-[2-[di(propan-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea
SYSTEMATIC NAME: 1-[2-[di(propan-2-yl)amino]ethyl]-3-(4-fluorophenyl)thiourea
MOLECULAR FORMULA: C15H24FN3S
MOLECULAR WEIGHT: 297.434563
SMILES: CC(C)N(CCNC(=S)NC1=CC=C(C=C1)F)C(C)C
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Product OPENEYE NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N,N-diisopropyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C19H32N3O3S+
MOLECULAR WEIGHT: 382.54068
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C(C)C)C(C)C
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