Thursday, March 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CAS Name: N-[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]butanamide
IUPAC NAME: N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
SYSTEMATIC NAME: N-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
MOLECULAR FORMULA: C15H18N4O3S2
MOLECULAR WEIGHT: 366.45842
SMILES: CCCC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 4-(diethylsulfamoyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-(diethylsulfamoyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-(diethylsulfamoyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-(diethylsulfamoyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C22H23N3O3S2
MOLECULAR WEIGHT: 441.56632
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CC#C
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Product OPENEYE NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylsulfonylamino)benzamide
CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
IUPAC NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
MOLECULAR FORMULA: C24H18ClN3O3S2
MOLECULAR WEIGHT: 496.00102
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)CC#C
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Product OPENEYE NAME: 4-(2,5-dioxopyrrolidin-1-yl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-(2,5-dioxopyrrolidin-1-yl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C21H16N4O5S2
MOLECULAR WEIGHT: 468.50554
SMILES: C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O
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Product OPENEYE NAME: methyl 2-[6-methyl-2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-methyl-2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-methyl-2-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-methyl-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C24H27N3O5S2
MOLECULAR WEIGHT: 501.61828
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C)CC(=O)OC
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Product OPENEYE NAME: methyl 2-[6-bromo-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-bromo-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-bromo-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-bromanyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C15H10BrN3O5S2
MOLECULAR WEIGHT: 456.291
SMILES: COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[2-[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C26H26N4O7S3
MOLECULAR WEIGHT: 602.70224
SMILES: CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC(=O)OC
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Product OPENEYE NAME: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C28H32N4O9S2
MOLECULAR WEIGHT: 632.70508
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC
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Product OPENEYE NAME: ethyl 2-[6-fluoro-2-(3-phenylprop-2-enoylimino)-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-fluoro-2-(1-oxo-3-phenylprop-2-enyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-fluoro-2-(3-phenylprop-2-enoylimino)-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-fluoranyl-2-(3-phenylprop-2-enoylimino)-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C20H17FN2O3S
MOLECULAR WEIGHT: 384.423983
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C=CC3=CC=CC=C3
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Product OPENEYE NAME: ethyl 2-[6-acetamido-2-(2,6-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-acetamido-2-[(2,6-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-acetamido-2-(2,6-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-acetamido-2-(2,6-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C22H23N3O6S
MOLECULAR WEIGHT: 457.49952
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=C(C=CC=C3OC)OC
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Product OPENEYE NAME: N-(3-allyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide
CAS Name: 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
IUPAC NAME: 2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[4,6-bis(fluoranyl)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]ethanamide
MOLECULAR FORMULA: C18H12Cl2F2N2O2S
MOLECULAR WEIGHT: 429.267886
SMILES: C=CCN1C2=C(C=C(C=C2SC1=NC(=O)COC3=C(C=C(C=C3)Cl)Cl)F)F
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Product OPENEYE NAME: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)sulfonyl-azanide
CAS Name: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)sulfonylazanide
IUPAC NAME: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)sulfonylazanide
SYSTEMATIC NAME: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)sulfonyl-azanide
MOLECULAR FORMULA: C15H16NO5S-
MOLECULAR WEIGHT: 322.35624
SMILES: COC1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)OC)OC
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Product OPENEYE NAME: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS Name: 3-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile
IUPAC NAME: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C19H22N5O+
MOLECULAR WEIGHT: 336.41088
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCOCC4)C#N
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Product OPENEYE NAME: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CAS Name: 3-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
IUPAC NAME: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
MOLECULAR FORMULA: C19H23N5O+2
MOLECULAR WEIGHT: 337.41882
SMILES: CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC[NH+]4CCOCC4
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