Saturday, January 21, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3'-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-spiro[indoline-3,2'-thiazolidine]-2,4'-dione
CAS Name: 3'-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methylspiro[1H-indole-3,2'-thiazolidine]-2,4'-dione
IUPAC NAME: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SYSTEMATIC NAME: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5'-methyl-spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
MOLECULAR FORMULA: C22H20N4O3S
MOLECULAR WEIGHT: 420.4842
SMILES: CC1=CC2=C(C=C1)NC(=O)C23N(C(=O)CS3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
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Product OPENEYE NAME: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CAS Name: 2-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
IUPAC NAME: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SYSTEMATIC NAME: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
MOLECULAR FORMULA: C18H21ClN4O3
MOLECULAR WEIGHT: 376.83734
SMILES: C1CC2C(=O)N(C(=O)N2C1)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 1-(4-tert-butylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CAS Name: 1-(4-tert-butylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
IUPAC NAME: 1-(4-tert-butylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
MOLECULAR FORMULA: C20H25NO2S
MOLECULAR WEIGHT: 343.483
SMILES: CC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: 3-[4-(1-piperidyl)phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile
CAS Name: 2-(4-methylphenyl)sulfonyl-3-[4-(1-piperidinyl)phenyl]-2-propenenitrile
IUPAC NAME: 2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C21H22N2O2S
MOLECULAR WEIGHT: 366.47658
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N
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Product OPENEYE NAME: 4-tert-butyl-N-[(5-methylisoxazol-3-yl)carbamothioyl]benzamide
CAS Name: 4-tert-butyl-N-[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]benzamide
IUPAC NAME: 4-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]benzamide
MOLECULAR FORMULA: C16H19N3O2S
MOLECULAR WEIGHT: 317.40596
SMILES: CC1=CC(=NO1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: 2-fluoro-N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonyl-vinyl]-5-(trifluoromethyl)aniline
CAS Name: 2-fluoro-N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonylethenyl]-5-(trifluoromethyl)aniline
IUPAC NAME: 2-fluoro-N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonylethenyl]-5-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-fluoranyl-N-[2-nitro-2-[4-(trifluoromethyloxy)phenyl]sulfonyl-ethenyl]-5-(trifluoromethyl)aniline
MOLECULAR FORMULA: C16H9F7N2O5S
MOLECULAR WEIGHT: 474.306882
SMILES: C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)C(=CNC2=C(C=CC(=C2)C(F)(F)F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 11-phenyl-5H-indeno[1,2-b][1,5]benzodiazepin-12-one
CAS Name: 11-phenyl-5H-indeno[1,2-b][1,5]benzodiazepin-12-one
IUPAC NAME: 11-phenyl-5H-indeno[1,2-b][1,5]benzodiazepin-12-one
SYSTEMATIC NAME: 11-phenyl-5H-indeno[1,2-b][1,5]benzodiazepin-12-one
MOLECULAR FORMULA: C22H14N2O
MOLECULAR WEIGHT: 322.35936
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC4=C2C(=O)C5=CC=CC=C54
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Product OPENEYE NAME: N-(2-bromo-4,6-difluoro-phenyl)-1-phenyl-cyclopentanecarboxamide
CAS Name: N-(2-bromo-4,6-difluorophenyl)-1-phenyl-1-cyclopentanecarboxamide
IUPAC NAME: N-(2-bromo-4,6-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
SYSTEMATIC NAME: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-1-phenyl-cyclopentane-1-carboxamide
MOLECULAR FORMULA: C18H16BrF2NO
MOLECULAR WEIGHT: 380.226546
SMILES: C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3Br)F)F
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Product OPENEYE NAME: N-(dimethylaminomethylene)-3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzamide
CAS Name: N-(dimethylaminomethylidene)-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
IUPAC NAME: N-(dimethylaminomethylidene)-3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzamide
SYSTEMATIC NAME: N-(dimethylaminomethylidene)-3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzamide
MOLECULAR FORMULA: C17H16F3N3O2
MOLECULAR WEIGHT: 351.32305
SMILES: CN(C)C=NC(=O)C1=CC(=CC=C1)CN2C=C(C=CC2=O)C(F)(F)F
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Product OPENEYE NAME: 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CAS Name: 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophenecarboxamide
IUPAC NAME: 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C15H12ClN3O4S
MOLECULAR WEIGHT: 365.79148
SMILES: COC1=CC(=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Cl)OC
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Product OPENEYE NAME: 2,4-dichloro-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 2,4-dichloro-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 2,4-dichloro-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-(4-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C15H9Cl3N2OS
MOLECULAR WEIGHT: 371.66876
SMILES: CN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethoxy]acetamide
CAS Name: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethoxy]acetamide
IUPAC NAME: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethoxy]acetamide
SYSTEMATIC NAME: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethoxy]ethanamide
MOLECULAR FORMULA: C24H26N4O3S2
MOLECULAR WEIGHT: 482.61824
SMILES: CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)COCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C)CC
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Product OPENEYE NAME: ethyl 2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[4-[butyl(ethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[4-[butyl(ethyl)sulfamoyl]phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C25H31N3O5S2
MOLECULAR WEIGHT: 517.66074
SMILES: CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC
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Product OPENEYE NAME: 5-bromo-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CAS Name: 5-bromo-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-furancarboxamide
IUPAC NAME: 5-bromo-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C15H14BrN3O4S2
MOLECULAR WEIGHT: 444.32336
SMILES: CCN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)Br
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