Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(1,3-dithian-2-yl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 4-(1,3-dithian-2-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 4-(1,3-dithian-2-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 4-(1,3-dithian-2-yl)-N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C17H24N2O2S2
MOLECULAR WEIGHT: 352.51466
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC=C(C=C1)C2SCCCS2
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate
CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C23H27NO6
MOLECULAR WEIGHT: 413.46358
SMILES: CCOC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: 1-benzhydryl-3-cyclopropyl-1-methyl-thiourea
CAS Name: 3-cyclopropyl-1-(diphenylmethyl)-1-methylthiourea
IUPAC NAME: 1-benzhydryl-3-cyclopropyl-1-methylthiourea
SYSTEMATIC NAME: 3-cyclopropyl-1-(diphenylmethyl)-1-methyl-thiourea
MOLECULAR FORMULA: C18H20N2S
MOLECULAR WEIGHT: 296.4298
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NC3CC3
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Product OPENEYE NAME: 1-(2-methyl-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone
CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone
IUPAC NAME: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C22H26N3O3S+
MOLECULAR WEIGHT: 412.52514
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C
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Product OPENEYE NAME: 1-benzhydryl-3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-thiourea
CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)-1-methylthiourea
IUPAC NAME: 1-benzhydryl-3-(1,3-benzodioxol-5-ylmethyl)-1-methylthiourea
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)-1-methyl-thiourea
MOLECULAR FORMULA: C23H22N2O2S
MOLECULAR WEIGHT: 390.49798
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 1-[2-(2-fluorophenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(2-fluoranylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C19H24FN2O3S+
MOLECULAR WEIGHT: 379.468863
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3F
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Product OPENEYE NAME: 1-[2-(2-fluorophenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(2-fluoranylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C19H23FN2O3S
MOLECULAR WEIGHT: 378.460923
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3F
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Product OPENEYE NAME: 1-[4-methoxy-3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone
CAS Name: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone
IUPAC NAME: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone
MOLECULAR FORMULA: C21H27N2O4S+
MOLECULAR WEIGHT: 403.51508
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(=O)C)OC
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Product OPENEYE NAME: 1-[4-methoxy-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]phenyl]ethanone
CAS Name: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]ethanone
IUPAC NAME: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OC
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Product OPENEYE NAME: [2-(isobutylamino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methylpropylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CC(C)CNC(=O)COC(=O)C1=CC2=CC=CC=C2OC1
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Product OPENEYE NAME: 4-(1,3-dithian-2-yl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 4-(1,3-dithian-2-yl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 4-(1,3-dithian-2-yl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 4-(1,3-dithian-2-yl)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C17H24N2O2S2
MOLECULAR WEIGHT: 352.51466
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)C2SCCCS2
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Product OPENEYE NAME: N-benzyl-5-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CAS Name: N-(phenylmethyl)-5-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-benzyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-(phenylmethyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C17H14N4OS3
MOLECULAR WEIGHT: 386.51426
SMILES: C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NOC(=C3)C4=CC=CS4
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Product OPENEYE NAME: 1-benzhydryl-3-[(4-methoxyphenyl)methyl]-1-methyl-thiourea
CAS Name: 1-(diphenylmethyl)-3-[(4-methoxyphenyl)methyl]-1-methylthiourea
IUPAC NAME: 1-benzhydryl-3-[(4-methoxyphenyl)methyl]-1-methylthiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-3-[(4-methoxyphenyl)methyl]-1-methyl-thiourea
MOLECULAR FORMULA: C23H24N2OS
MOLECULAR WEIGHT: 376.51446
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[(1R)-1-methylpropyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(2R)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(2R)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(2R)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H28N3O3S+
MOLECULAR WEIGHT: 354.48752
SMILES: CC[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-[(1R)-1-methylpropyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(2R)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(2R)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(2R)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H27N3O3S
MOLECULAR WEIGHT: 353.47958
SMILES: CC[C@@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[3-[[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[3-[oxo-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]methyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-[[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2
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Product OPENEYE NAME: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CCC(CC)NC(=O)COC(=O)C1=CC2=CC=CC=C2OC1
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Product OPENEYE NAME: (2R)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2R)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2R)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2R)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C18H22N6OS2
MOLECULAR WEIGHT: 402.53688
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)SC2=NN=C(S2)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-[3-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[3-[oxo-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]methyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2
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Product OPENEYE NAME: N-[(1S)-1-methylpropyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(2S)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(2S)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(2S)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H28N3O3S+
MOLECULAR WEIGHT: 354.48752
SMILES: CC[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-methylpropyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(2S)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(2S)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(2S)-butan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H27N3O3S
MOLECULAR WEIGHT: 353.47958
SMILES: CC[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-(3-methylsulfanylpropyl)thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[3-(methylthio)propyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-(3-methylsulfanylpropyl)thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-(3-methylsulfanylpropyl)thiourea
MOLECULAR FORMULA: C19H24N2S2
MOLECULAR WEIGHT: 344.53726
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCCCSC
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