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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-12(13-7-5-4-6-8-13)20-19(26)21-16-10-14(17(22)24-2)9-15(11-16)18(23)25-3/h4-12H,1-3H3,(H2,20,21,26)