diethyl 2-[(3-methylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[(3-methylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-(m-tolylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(3-methylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3-methylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-(m-tolylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C20H22N2O4S/c1-4-25-18(23)14-9-10-16(19(24)26-5-2)17(12-14)22-20(27)21-15-8-6-7-13(3)11-15/h6-12H,4-5H2,1-3H3,(H2,21,22,27)