dimethyl 2-[[ethyl-(phenylmethyl)carbamothioyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[ethyl-(phenylmethyl)carbamothioyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[benzyl(ethyl)carbamothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[ethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[benzyl(ethyl)carbamothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[benzyl(ethyl)thiocarbamoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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