N-(2-oxidanylpropyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-oxidanylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-hydroxypropyl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-hydroxypropyl)-3-(phenylthio)propanamide IUPAC Name: N-(2-hydroxypropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-hydroxypropyl)-3-(phenylthio)propionamide Formula: C12H17NO2S MolecularWeight: 239.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCSC1=CC=CC=C1)O

Isomeric SMILES

CC(CNC(=O)CCSC1=CC=CC=C1)O

InChI

InChI=1S/C12H17NO2S/c1-10(14)9-13-12(15)7-8-16-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)