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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)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)26-12-13-27(16(4)14-26)18-10-8-15(3)9-11-18/h8-11,16H,6-7,12-14H2,1-5H3,(H,25,32)