Monday, April 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanophenyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-cyanophenyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanophenyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanophenyl)ethanamide
MOLECULAR FORMULA: C19H19ClN4O3S
MOLECULAR WEIGHT: 418.89716
SMILES: C1CN(CCN1CC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-propyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-propylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[[4-[bis(fluoranyl)methoxy]phenyl]methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-propyl-thiourea
MOLECULAR FORMULA: C17H19F2N3O3S2
MOLECULAR WEIGHT: 415.477866
SMILES: CCCNC(=S)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/SC1=O
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Product OPENEYE NAME: 2-(4-ethoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CAS Name: 2-(4-ethoxyphenoxy)-N-[2-[(2-fluorophenyl)methylthio]ethyl]acetamide
IUPAC NAME: 2-(4-ethoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: 2-(4-ethoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C19H22FNO3S
MOLECULAR WEIGHT: 363.446283
SMILES: CCOC1=CC=C(C=C1)OCC(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-chlorophenoxy)acetate
CAS Name: 2-(2-chlorophenoxy)acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-chloranylphenoxy)ethanoate
MOLECULAR FORMULA: C17H20ClN3O4
MOLECULAR WEIGHT: 365.8114
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2Cl
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Product OPENEYE NAME: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylphenyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H23ClN3O3S+
MOLECULAR WEIGHT: 408.92222
SMILES: CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(o-tolyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methylphenyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H22ClN3O3S
MOLECULAR WEIGHT: 407.91428
SMILES: CC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-cyclopropyl-3-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-cyclopropyl-3-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-cyclopropyl-3-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[[4-[bis(fluoranyl)methoxy]phenyl]methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-cyclopropyl-thiourea
MOLECULAR FORMULA: C17H17F2N3O3S2
MOLECULAR WEIGHT: 413.461986
SMILES: C1CC1NC(=S)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)OC(F)F)/SC2=O
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-cyanophenyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide
MOLECULAR FORMULA: C19H20ClN4O3S+
MOLECULAR WEIGHT: 419.9051
SMILES: C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-cyanophenyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(3-cyanophenyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-cyanophenyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-cyanophenyl)ethanamide
MOLECULAR FORMULA: C19H19ClN4O3S
MOLECULAR WEIGHT: 418.89716
SMILES: C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C19H19FN2O2S2
MOLECULAR WEIGHT: 390.494763
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2)F
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Product OPENEYE NAME: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
MOLECULAR FORMULA: C20H23ClN3O3S+
MOLECULAR WEIGHT: 420.93292
SMILES: C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-(2-methylallyl)thiourea
CAS Name: 1-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[(3,5-dimethoxyphenyl)carbonylamino]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C14H19N3O3S
MOLECULAR WEIGHT: 309.38396
SMILES: CC(=C)CNC(=S)NNC(=O)C1=CC(=CC(=C1)OC)OC
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-[(3,5-dimethoxybenzoyl)amino]thiourea
CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]thiourea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-[(3,5-dimethoxybenzoyl)amino]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-[(3,5-dimethoxyphenyl)carbonylamino]thiourea
MOLECULAR FORMULA: C17H18ClN3O3S
MOLECULAR WEIGHT: 379.86112
SMILES: CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC(=C2)OC)OC)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylacetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H21ClN3O3S+
MOLECULAR WEIGHT: 394.89564
SMILES: C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-phenylacetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H20ClN3O3S
MOLECULAR WEIGHT: 393.8877
SMILES: C1CN(CCN1CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-chlorophenoxy)acetate
CAS Name: 2-(2-chlorophenoxy)acetic 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-(2-chlorophenoxy)acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-chloranylphenoxy)ethanoate
MOLECULAR FORMULA: C17H20ClN3O4
MOLECULAR WEIGHT: 365.8114
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)COC2=CC=CC=C2Cl
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C19H19FN2O2S2
MOLECULAR WEIGHT: 390.494763
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)F
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