dimethyl 2-[(4-methylphenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-methylphenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(p-tolylmethylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methylphenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-methylbenzyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12-4-6-13(7-5-12)11-20-19(26)21-16-10-14(17(22)24-2)8-9-15(16)18(23)25-3/h4-10H,11H2,1-3H3,(H2,20,21,26)