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

Systemtic Name: diethyl 5-(1-phenylethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(1-phenylethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1-phenylethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1-phenylethylthiocarbamoylamino)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)NC(C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-26-19(24)16-11-17(20(25)27-5-2)13-18(12-16)23-21(28)22-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H2,22,23,28)