methyl 4-(naphthalen-1-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(naphthalen-1-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(1-naphthylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(1-naphthalenylmethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(naphthalen-1-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(1-naphthylmethylthiocarbamoylamino)benzoic acid methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H18N2O2S/c1-24-19(23)15-9-11-17(12-10-15)22-20(25)21-13-16-7-4-6-14-5-2-3-8-18(14)16/h2-12H,13H2,1H3,(H2,21,22,25)