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

Systemtic Name: diethyl 3-methyl-5-[(4-phenethylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-phenethylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenethyl-1-piperazinyl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-phenethylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-phenethylpiperazine-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(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S2/c1-4-30-22(28)19-17(3)20(23(29)31-5-2)33-21(19)25-24(32)27-15-13-26(14-16-27)12-11-18-9-7-6-8-10-18/h6-10H,4-5,11-16H2,1-3H3,(H,25,32)