dimethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(phenethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(phenethylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-24-17(22)14-10-15(18(23)25-2)12-16(11-14)21-19(26)20-9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H2,20,21,26)