diethyl 3-methyl-5-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(p-tolylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylbenzyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N2O4S2/c1-5-25-18(23)15-13(4)16(19(24)26-6-2)28-17(15)22-20(27)21-11-14-9-7-12(3)8-10-14/h7-10H,5-6,11H2,1-4H3,(H2,21,22,27)