Thursday, February 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]formamide
CAS Name: N-[2,2,2-trichloro-1-[[(4-iodoanilino)-sulfanylidenemethyl]amino]ethyl]formamide
IUPAC NAME: N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]formamide
SYSTEMATIC NAME: N-[2,2,2-tris(chloranyl)-1-[(4-iodophenyl)carbamothioylamino]ethyl]methanamide
MOLECULAR FORMULA: C10H9Cl3IN3OS
MOLECULAR WEIGHT: 452.52643
SMILES: C1=CC(=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC=O)I
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Product OPENEYE NAME: 2-cyano-N-(2-fluorophenyl)-3-(4-octoxyphenyl)prop-2-enamide
CAS Name: 2-cyano-N-(2-fluorophenyl)-3-(4-octoxyphenyl)-2-propenamide
IUPAC NAME: 2-cyano-N-(2-fluorophenyl)-3-(4-octoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-N-(2-fluorophenyl)-3-(4-octoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C24H27FN2O2
MOLECULAR WEIGHT: 394.481783
SMILES: CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F
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Product OPENEYE NAME: N-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-1,1-dioxo-thiolan-3-amine
CAS Name: N-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-1,1-dioxo-3-thiolanamine
IUPAC NAME: N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-1,1-dioxothiolan-3-amine
SYSTEMATIC NAME: N-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-1,1-bis(oxidanylidene)thiolan-3-amine
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC3CCS(=O)(=O)C3
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Product OPENEYE NAME: N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isoindolin-1-ylidene]benzamide
CAS Name: N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3H-isoindol-1-ylidene]benzamide
IUPAC NAME: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-1-ylidene]benzamide
SYSTEMATIC NAME: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-1-ylidene]benzamide
MOLECULAR FORMULA: C21H13ClF3N3O
MOLECULAR WEIGHT: 415.79563
SMILES: C1C2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3)N1C4=C(C=C(C=N4)C(F)(F)F)Cl
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Product OPENEYE NAME: 2-fluoro-N-[(2-isopropyl-5-methyl-cyclohexoxy)-phenyl-phosphoryl]aniline
CAS Name: 2-fluoro-N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]aniline
IUPAC NAME: 2-fluoro-N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]aniline
SYSTEMATIC NAME: 2-fluoranyl-N-[(5-methyl-2-propan-2-yl-cyclohexyl)oxy-phenyl-phosphoryl]aniline
MOLECULAR FORMULA: C22H29FNO2P
MOLECULAR WEIGHT: 389.443324
SMILES: CC1CCC(C(C1)OP(=O)(C2=CC=CC=C2)NC3=CC=CC=C3F)C(C)C
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Product OPENEYE NAME: 4-[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]hydrazino]-4-oxo-but-2-enoic acid
CAS Name: 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]hydrazo]-4-oxo-2-butenoic acid
IUPAC NAME: 4-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]hydrazinyl]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]hydrazinyl]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C21H30N2O5
MOLECULAR WEIGHT: 390.4733
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=O)C=CC(=O)O
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Product OPENEYE NAME: [3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CAS Name: [3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
IUPAC NAME: [3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SYSTEMATIC NAME: [3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
MOLECULAR FORMULA: C30H28F2N2O4
MOLECULAR WEIGHT: 518.551126
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F
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Product OPENEYE NAME: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]isoindolin-1-ylidene]cyclohexanecarboxamide
CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide
IUPAC NAME: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide
MOLECULAR FORMULA: C28H35N3O3S
MOLECULAR WEIGHT: 493.6608
SMILES: CC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4CCCCC4)S(=O)(=O)N5CCCCCC5
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Product OPENEYE NAME: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2-furylmethylsulfamoyl)phenyl]benzamide
CAS Name: 4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-[4-(2-furanylmethylsulfamoyl)phenyl]benzamide
IUPAC NAME: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SYSTEMATIC NAME: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
MOLECULAR FORMULA: C24H27N3O7S2
MOLECULAR WEIGHT: 533.61708
SMILES: CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4
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Product OPENEYE NAME: 4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CAS Name: 4-fluoro-N-[1-[4-(1-imidazolyl)phenyl]ethylideneamino]benzamide
IUPAC NAME: 4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
MOLECULAR FORMULA: C18H15FN4O
MOLECULAR WEIGHT: 322.336303
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)N3C=CN=C3
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Product OPENEYE NAME: 4-[(2-chloro-5-nitro-phenyl)sulfonylamino]-N-[4-(1-piperidyl)phenyl]benzamide
CAS Name: 4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[4-(1-piperidinyl)phenyl]benzamide
IUPAC NAME: 4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
SYSTEMATIC NAME: 4-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
MOLECULAR FORMULA: C24H23ClN4O5S
MOLECULAR WEIGHT: 514.98122
SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-fluoro-N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CAS Name: 2-fluoro-N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
IUPAC NAME: 2-fluoro-N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
MOLECULAR FORMULA: C21H18F2N2O4S
MOLECULAR WEIGHT: 432.440426
SMILES: COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: 2-fluoro-N-(3-fluorophenyl)-5-(p-tolylmethylsulfamoyl)benzamide
CAS Name: 2-fluoro-N-(3-fluorophenyl)-5-[(4-methylphenyl)methylsulfamoyl]benzamide
IUPAC NAME: 2-fluoro-N-(3-fluorophenyl)-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-(3-fluorophenyl)-5-[(4-methylphenyl)methylsulfamoyl]benzamide
MOLECULAR FORMULA: C21H18F2N2O3S
MOLECULAR WEIGHT: 416.441026
SMILES: CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: 2-fluoro-N-(3-fluorophenyl)-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CAS Name: 2-fluoro-N-(3-fluorophenyl)-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
IUPAC NAME: 2-fluoro-N-(3-fluorophenyl)-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-(3-fluorophenyl)-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
MOLECULAR FORMULA: C20H15F3N2O3S
MOLECULAR WEIGHT: 420.40491
SMILES: C1=CC(=CC(=C1)F)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)F
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Product OPENEYE NAME: 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-fluoro-N-(3-fluorophenyl)benzamide
CAS Name: 5-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-fluoro-N-(3-fluorophenyl)benzamide
IUPAC NAME: 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-fluoro-N-(3-fluorophenyl)benzamide
SYSTEMATIC NAME: 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-fluoranyl-N-(3-fluorophenyl)benzamide
MOLECULAR FORMULA: C21H22F2N2O3S
MOLECULAR WEIGHT: 420.472786
SMILES: C1CCC(=CC1)CCNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: 5-[benzyl(methyl)sulfamoyl]-N-(3,4-dichlorophenyl)-2-fluoro-benzamide
CAS Name: N-(3,4-dichlorophenyl)-2-fluoro-5-[methyl-(phenylmethyl)sulfamoyl]benzamide
IUPAC NAME: 5-[benzyl(methyl)sulfamoyl]-N-(3,4-dichlorophenyl)-2-fluorobenzamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-2-fluoranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzamide
MOLECULAR FORMULA: C21H17Cl2FN2O3S
MOLECULAR WEIGHT: 467.340683
SMILES: CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-(3,4-dichlorophenyl)-5-(dipropylsulfamoyl)-2-fluoro-benzamide
CAS Name: N-(3,4-dichlorophenyl)-5-(dipropylsulfamoyl)-2-fluorobenzamide
IUPAC NAME: N-(3,4-dichlorophenyl)-5-(dipropylsulfamoyl)-2-fluorobenzamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-5-(dipropylsulfamoyl)-2-fluoranyl-benzamide
MOLECULAR FORMULA: C19H21Cl2FN2O3S
MOLECULAR WEIGHT: 447.351043
SMILES: CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-(3,4-dichlorophenyl)-5-[ethyl(phenyl)sulfamoyl]-2-fluoro-benzamide
CAS Name: N-(3,4-dichlorophenyl)-5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzamide
IUPAC NAME: N-(3,4-dichlorophenyl)-5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-5-[ethyl(phenyl)sulfamoyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C21H17Cl2FN2O3S
MOLECULAR WEIGHT: 467.340683
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-(3,4-dichlorophenyl)-5-[(2-ethyl-1-piperidyl)sulfonyl]-2-fluoro-benzamide
CAS Name: N-(3,4-dichlorophenyl)-5-[(2-ethyl-1-piperidinyl)sulfonyl]-2-fluorobenzamide
IUPAC NAME: N-(3,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoranyl-benzamide
MOLECULAR FORMULA: C20H21Cl2FN2O3S
MOLECULAR WEIGHT: 459.361743
SMILES: CCC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 5-(azepan-1-ylsulfonyl)-N-(3,4-dichlorophenyl)-2-fluoro-benzamide
CAS Name: 5-(1-azepanylsulfonyl)-N-(3,4-dichlorophenyl)-2-fluorobenzamide
IUPAC NAME: 5-(azepan-1-ylsulfonyl)-N-(3,4-dichlorophenyl)-2-fluorobenzamide
SYSTEMATIC NAME: 5-(azepan-1-ylsulfonyl)-N-(3,4-dichlorophenyl)-2-fluoranyl-benzamide
MOLECULAR FORMULA: C19H19Cl2FN2O3S
MOLECULAR WEIGHT: 445.335163
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-(3,4-dichlorophenyl)-2-fluoro-5-indolin-1-ylsulfonyl-benzamide
CAS Name: N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
IUPAC NAME: N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoranyl-benzamide
MOLECULAR FORMULA: C21H15Cl2FN2O3S
MOLECULAR WEIGHT: 465.324803
SMILES: C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: N-(3,4-dichlorophenyl)-2-fluoro-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide
CAS Name: N-(3,4-dichlorophenyl)-2-fluoro-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
IUPAC NAME: N-(3,4-dichlorophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-2-fluoranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide
MOLECULAR FORMULA: C19H19Cl2FN2O3S
MOLECULAR WEIGHT: 445.335163
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl
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