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

Systemtic Name: diethyl 2-(phenethylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: diethyl 2-(phenethylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(phenethylamino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(phenethylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(phenethylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-3-26-19(24)16-10-11-17(20(25)27-4-2)18(14-16)23-21(28)22-13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,28)