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

Systemtic Name: diethyl 5-[(phenylmethyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(benzylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(benzylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(benzylthiocarbamoylamino)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)NCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-3-25-18(23)15-10-16(19(24)26-4-2)12-17(11-15)22-20(27)21-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H2,21,22,27)