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

Systemtic Name: diethyl 5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C24H31N3O4S2/c1-6-30-22(28)19-17(5)20(23(29)31-7-2)33-21(19)25-24(32)27-13-11-26(12-14-27)18-10-8-9-15(3)16(18)4/h8-10H,6-7,11-14H2,1-5H3,(H,25,32)