Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (E)-2-tert-butylsulfonyl-3-(4-pyrrol-1-yl-1-piperidyl)prop-2-enenitrile
CAS Name: (E)-2-tert-butylsulfonyl-3-[4-(1-pyrrolyl)-1-piperidinyl]-2-propenenitrile
IUPAC NAME: (E)-2-tert-butylsulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-tert-butylsulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C16H23N3O2S
MOLECULAR WEIGHT: 321.43772
SMILES: CC(C)(C)S(=O)(=O)/C(=C/N1CCC(CC1)N2C=CC=C2)/C#N
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Product OPENEYE NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-yl-1-piperidyl)prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(1-pyrrolyl)-1-piperidinyl]-2-propenenitrile
IUPAC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C18H18ClN3O2S
MOLECULAR WEIGHT: 375.87242
SMILES: C1CN(CCC1N2C=CC=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrrol-1-yl-piperidine
CAS Name: 1-[2-(4-fluorophenyl)sulfonylethyl]-4-(1-pyrrolyl)piperidine
IUPAC NAME: 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrrol-1-ylpiperidine
SYSTEMATIC NAME: 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrrol-1-yl-piperidine
MOLECULAR FORMULA: C17H21FN2O2S
MOLECULAR WEIGHT: 336.424243
SMILES: C1CN(CCC1N2C=CC=C2)CCS(=O)(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[2-(benzenesulfonyl)ethyl]-4-pyrrol-1-yl-piperidine
CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-(1-pyrrolyl)piperidine
IUPAC NAME: 1-[2-(benzenesulfonyl)ethyl]-4-pyrrol-1-ylpiperidine
SYSTEMATIC NAME: 1-[2-(phenylsulfonyl)ethyl]-4-pyrrol-1-yl-piperidine
MOLECULAR FORMULA: C17H22N2O2S
MOLECULAR WEIGHT: 318.43378
SMILES: C1CN(CCC1N2C=CC=C2)CCS(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[2-(p-tolylsulfonyl)ethyl]-4-pyrrol-1-yl-piperidine
CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(1-pyrrolyl)piperidine
IUPAC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyrrol-1-ylpiperidine
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)sulfonylethyl]-4-pyrrol-1-yl-piperidine
MOLECULAR FORMULA: C18H24N2O2S
MOLECULAR WEIGHT: 332.46036
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCN2CCC(CC2)N3C=CC=C3
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Product OPENEYE NAME: 3-(1,3-dithiolan-2-ylidene)-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
CAS Name: 3-(1,3-dithiolan-2-ylidene)-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
IUPAC NAME: 3-(1,3-dithiolan-2-ylidene)-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
SYSTEMATIC NAME: 3-(1,3-dithiolan-2-ylidene)-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1-benzothiazin-4-one
MOLECULAR FORMULA: C12H11NO3S3
MOLECULAR WEIGHT: 313.41564
SMILES: CN1C2=CC=CC=C2C(=O)C(=C3SCCS3)S1(=O)=O
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Product OPENEYE NAME: 1-[[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetyl]amino]-3-phenyl-urea
CAS Name: 1-[[2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-1-oxoethyl]amino]-3-phenylurea
IUPAC NAME: 1-[[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetyl]amino]-3-phenylurea
SYSTEMATIC NAME: 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]ethanoylamino]-3-phenyl-urea
MOLECULAR FORMULA: C22H28ClN5O2S
MOLECULAR WEIGHT: 462.00802
SMILES: C1CN(CCN1CCCSCC(=O)NNC(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetyl]amino]urea
CAS Name: 1-(4-chlorophenyl)-3-[[2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-1-oxoethyl]amino]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetyl]amino]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]ethanoylamino]urea
MOLECULAR FORMULA: C22H27Cl2N5O2S
MOLECULAR WEIGHT: 496.45308
SMILES: C1CN(CCN1CCCSCC(=O)NNC(=O)NC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyleneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
CAS Name: N-[(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]acetamide
IUPAC NAME: N-[(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]ethanamide
MOLECULAR FORMULA: C22H26Cl2N4OS
MOLECULAR WEIGHT: 465.43904
SMILES: C1CN(CCN1CCCSCC(=O)NN=CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 3-(1,3-dithian-2-ylidene)-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
CAS Name: 3-(1,3-dithian-2-ylidene)-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
IUPAC NAME: 3-(1,3-dithian-2-ylidene)-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
SYSTEMATIC NAME: 3-(1,3-dithian-2-ylidene)-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1-benzothiazin-4-one
MOLECULAR FORMULA: C13H13NO3S3
MOLECULAR WEIGHT: 327.44222
SMILES: CN1C2=CC=CC=C2C(=O)C(=C3SCCCS3)S1(=O)=O
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Product OPENEYE NAME: 1-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C21H14F3N3O4
MOLECULAR WEIGHT: 429.34877
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 1-phenyl-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
CAS Name: 1-[[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]-3-phenylurea
IUPAC NAME: 1-phenyl-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
SYSTEMATIC NAME: 1-phenyl-3-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]urea
MOLECULAR FORMULA: C20H15N3O3
MOLECULAR WEIGHT: 345.3514
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)NNC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
CAS Name: 1-(3,5-dichlorophenyl)-3-[[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]urea
IUPAC NAME: 1-(3,5-dichlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-3-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]urea
MOLECULAR FORMULA: C20H13Cl2N3O3
MOLECULAR WEIGHT: 414.24152
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)NNC(=O)NC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: N-(benzylideneamino)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-N-[(phenylmethylene)amino]acetamide
IUPAC NAME: N-(benzylideneamino)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
SYSTEMATIC NAME: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-[(phenylmethylidene)amino]ethanamide
MOLECULAR FORMULA: C22H27ClN4OS
MOLECULAR WEIGHT: 430.99398
SMILES: C1CN(CCN1CCCSCC(=O)NN=CC2=CC=CC=C2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-(2-thienylmethyleneamino)acetamide
CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-N-(thiophen-2-ylmethylideneamino)acetamide
IUPAC NAME: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-(thiophen-2-ylmethylideneamino)acetamide
SYSTEMATIC NAME: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-(thiophen-2-ylmethylideneamino)ethanamide
MOLECULAR FORMULA: C20H25ClN4OS2
MOLECULAR WEIGHT: 437.0217
SMILES: C1CN(CCN1CCCSCC(=O)NN=CC2=CC=CS2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: N'-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetyl]-4-methoxy-benzohydrazide
CAS Name: N'-[2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-1-oxoethyl]-4-methoxybenzohydrazide
IUPAC NAME: N'-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetyl]-4-methoxybenzohydrazide
SYSTEMATIC NAME: N'-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]ethanoyl]-4-methoxy-benzohydrazide
MOLECULAR FORMULA: C23H29ClN4O3S
MOLECULAR WEIGHT: 477.01936
SMILES: COC1=CC=C(C=C1)C(=O)NNC(=O)CSCCCN2CCN(CC2)C3=CC(=CC=C3)Cl
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