methyl 4-(pyridin-3-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(pyridin-3-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(3-pyridylcarbamothioylamino)benzoate CAS Name: 4-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(pyridin-3-ylcarbamothioylamino)benzoate Traditional Name: 4-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

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