diethyl 2-(propylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-(propylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: diethyl 2-(propylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[propylamino(sulfanylidene)methyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(propylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(propylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=CC(=C1)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(C=CC(=C1)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C16H22N2O4S/c1-4-9-17-16(23)18-13-10-11(14(19)21-5-2)7-8-12(13)15(20)22-6-3/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18,23)