N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]octanamide

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]octanamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]octanamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]octanamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]caprylamide Formula: C17H24N4O2S MolecularWeight: 348.46306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NN1C(=CC(=C(C1=O)C#N)C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NN1C(=CC(=C(C1=O)C#N)C)C

InChI

InChI=1S/C17H24N4O2S/c1-4-5-6-7-8-9-15(22)19-17(24)20-21-13(3)10-12(2)14(11-18)16(21)23/h10H,4-9H2,1-3H3,(H2,19,20,22,24)