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

Systemtic Name: diethyl 3-methyl-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-tosylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H29N3O6S3 MolecularWeight: 539.68786

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S3/c1-5-31-21(27)18-16(4)19(22(28)32-6-2)34-20(18)24-23(33)25-11-13-26(14-12-25)35(29,30)17-9-7-15(3)8-10-17/h7-10H,5-6,11-14H2,1-4H3,(H,24,33)