diethyl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(1-naphthylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1-naphthylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C23H22N2O4S/c1-3-28-21(26)16-12-17(22(27)29-4-2)14-18(13-16)24-23(30)25-20-11-7-9-15-8-5-6-10-19(15)20/h5-14H,3-4H2,1-2H3,(H2,24,25,30)