methyl 4-(pyridin-3-ylmethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(pyridin-3-ylmethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(3-pyridylmethylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(pyridin-3-ylmethylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(3-pyridylmethylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-22-15(21)13-6-4-12(5-7-13)14(20)19-16(23)18-10-11-3-2-8-17-9-11/h2-9H,10H2,1H3,(H2,18,19,20,23)