Saturday, February 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-phenyl-N,N-disec-butyl-prop-2-enamide
CAS Name: N,N-di(butan-2-yl)-3-phenyl-2-propenamide
IUPAC NAME: N,N-di(butan-2-yl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: N,N-di(butan-2-yl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H25NO
MOLECULAR WEIGHT: 259.3865
SMILES: CCC(C)N(C(C)CC)C(=O)C=CC1=CC=CC=C1
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Product OPENEYE NAME: 3-(4-fluorophenyl)-N-[4-(4-isopropylphenyl)thiazol-2-yl]prop-2-enamide
CAS Name: 3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-2-thiazolyl]-2-propenamide
IUPAC NAME: 3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
MOLECULAR FORMULA: C21H19FN2OS
MOLECULAR WEIGHT: 366.451763
SMILES: CC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC3=CC=C(C=C3)F
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Product OPENEYE NAME: N,N-diethyl-8-methyl-6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: N,N-diethyl-8-methyl-6-[4-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: N,N-diethyl-8-methyl-6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: N,N-diethyl-8-methyl-6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C27H30F3N5O2S
MOLECULAR WEIGHT: 545.61961
SMILES: CCN(CC)C(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CCCS2)C
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Product OPENEYE NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-isobenzofuran-5-carboxamide
CAS Name: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-5-isobenzofurancarboxamide
IUPAC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide
MOLECULAR FORMULA: C36H29N3O7S2
MOLECULAR WEIGHT: 679.76136
SMILES: CC1=NN=C(S1)SCC2C(C(OC(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)C6=CC=C(C=C6)CO)C7=CC=CC=C7
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Product OPENEYE NAME: 1-benzyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholinomethyl)-1,3-dioxan-2-yl]phenyl]urea
CAS Name: 1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl]-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]urea
SYSTEMATIC NAME: 1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]-3-(phenylmethyl)urea
MOLECULAR FORMULA: C31H37N3O5
MOLECULAR WEIGHT: 531.64258
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NCC4=CC=CC=C4)CN5CCOCC5
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Product OPENEYE NAME: methyl 2-[2-(cyclopropanecarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[cyclopropyl(oxo)methyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(cyclopropanecarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-(2-cyclopropylcarbonylimino-6-methyl-1,3-benzothiazol-3-yl)ethanoate
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CC(=O)OC
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Product OPENEYE NAME: methyl 2-[6-bromo-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-bromo-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-bromo-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-bromanyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C15H10BrN3O6S
MOLECULAR WEIGHT: 440.2254
SMILES: COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[2-(2-phenoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[oxo-(2-phenoxyphenyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(2-phenoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[2-(2-phenoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C23H19N3O6S2
MOLECULAR WEIGHT: 497.54346
SMILES: COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CC=C3OC4=CC=CC=C4
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Product OPENEYE NAME: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C26H30N2O6S
MOLECULAR WEIGHT: 498.5912
SMILES: CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC(=O)OCC
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Product OPENEYE NAME: ethyl 2-[2-[4-(dimethylsulfamoyl)benzoyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[4-(dimethylsulfamoyl)benzoyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-[4-(dimethylsulfamoyl)phenyl]carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C20H20FN3O5S2
MOLECULAR WEIGHT: 465.518303
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C
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Product OPENEYE NAME: ethyl 2-[6-acetamido-2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-acetamido-2-[[4-[butyl(ethyl)sulfamoyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-acetamido-2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-acetamido-2-[4-[butyl(ethyl)sulfamoyl]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C26H32N4O6S2
MOLECULAR WEIGHT: 560.68548
SMILES: CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OCC
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Product OPENEYE NAME: N-(3-allyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CAS Name: N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
IUPAC NAME: N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
SYSTEMATIC NAME: N-[4,6-bis(fluoranyl)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
MOLECULAR FORMULA: C26H21F2N3O3S2
MOLECULAR WEIGHT: 525.590046
SMILES: C=CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)F)F
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