methyl 3-(pyridin-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(pyridin-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(2-pyridylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(pyridin-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(2-pyridylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=N2

InChI

InChI=1S/C15H13N3O3S/c1-21-14(20)11-6-4-5-10(9-11)13(19)18-15(22)17-12-7-2-3-8-16-12/h2-9H,1H3,(H2,16,17,18,19,22)