dimethyl 5-[(4-methylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-methylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(p-toluoylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H18N2O5S/c1-11-4-6-12(7-5-11)16(22)21-19(27)20-15-9-13(17(23)25-2)8-14(10-15)18(24)26-3/h4-10H,1-3H3,(H2,20,21,22,27)