methyl 4-(pyridin-3-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(pyridin-3-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(3-pyridylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(pyridin-3-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(3-pyridylmethylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-20-14(19)12-4-6-13(7-5-12)18-15(21)17-10-11-3-2-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,21)