methyl 3-(phenylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(phenylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(phenylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[anilino(sulfanylidene)methyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(phenylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(phenylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-21-15(20)12-7-5-6-11(10-12)14(19)18-16(22)17-13-8-3-2-4-9-13/h2-10H,1H3,(H2,17,18,19,22)