diethyl 5-[(2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(o-tolylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(o-tolylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C)C(=O)OCC

InChI

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