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

Systemtic Name: diethyl 3-methyl-5-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(4-isobutylphenyl)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)CC(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)CC(C)C

InChI

InChI=1S/C26H35N3O6S3/c1-6-34-24(30)21-18(5)22(25(31)35-7-2)37-23(21)27-26(36)28-12-14-29(15-13-28)38(32,33)20-10-8-19(9-11-20)16-17(3)4/h8-11,17H,6-7,12-16H2,1-5H3,(H,27,36)