methyl 3-(pyridin-3-ylmethylcarbamothioylamino)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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