methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2-pyridylcarbamothioylamino)benzoate CAS Name: 4-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(2-pyridylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2S/c1-19-13(18)10-5-7-11(8-6-10)16-14(20)17-12-4-2-3-9-15-12/h2-9H,1H3,(H2,15,16,17,20)