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

Systemtic Name: diethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(phenethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(phenethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(phenethylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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