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

Systemtic Name: dimethyl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(1-naphthylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1-naphthylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-26-19(24)14-10-15(20(25)27-2)12-16(11-14)22-21(28)23-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H2,22,23,28)