N-(pyridin-3-ylmethylcarbamothioyl)pentanamide

Systemtic Name: N-(pyridin-3-ylmethylcarbamothioyl)pentanamide Openeye Name: N-(3-pyridylmethylcarbamothioyl)pentanamide CAS Name: N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-(pyridin-3-ylmethylcarbamothioyl)pentanamide Traditional Name: N-(3-pyridylmethylthiocarbamoyl)valeramide Formula: C12H17N3OS MolecularWeight: 251.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NCC1=CN=CC=C1

Isomeric SMILES

CCCCC(=O)NC(=S)NCC1=CN=CC=C1

InChI

InChI=1S/C12H17N3OS/c1-2-3-6-11(16)15-12(17)14-9-10-5-4-7-13-8-10/h4-5,7-8H,2-3,6,9H2,1H3,(H2,14,15,16,17)