diethyl 5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H35N3O6S3 MolecularWeight: 581.7676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H35N3O6S3/c1-7-34-23(30)20-17(3)21(24(31)35-8-2)37-22(20)27-25(36)28-13-15-29(16-14-28)38(32,33)19-11-9-18(10-12-19)26(4,5)6/h9-12H,7-8,13-16H2,1-6H3,(H,27,36)