methyl 4-(naphthalen-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(naphthalen-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(2-naphthylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(naphthalen-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(2-naphthylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H16N2O3S/c1-25-19(24)15-8-6-14(7-9-15)18(23)22-20(26)21-17-11-10-13-4-2-3-5-16(13)12-17/h2-12H,1H3,(H2,21,22,23,26)