N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[3-oxo-3-(2-pyridylamino)propyl]propanamide CAS Name: N-[3-oxo-3-(2-pyridinylamino)propyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide Traditional Name: 2-(benzylthio)-N-[3-keto-3-(2-pyridylamino)propyl]propionamide Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)NC1=CC=CC=N1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCCC(=O)NC1=CC=CC=N1)SCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-14(24-13-15-7-3-2-4-8-15)18(23)20-12-10-17(22)21-16-9-5-6-11-19-16/h2-9,11,14H,10,12-13H2,1H3,(H,20,23)(H,19,21,22)