2-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]-N-phenyl-propanamide

Systemtic Name: 2-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]-N-phenyl-propanamide Openeye Name: 2-[4-(2-hydroxy-3-phenylsulfanyl-propyl)piperazin-1-yl]-N-phenyl-propanamide CAS Name: 2-[4-[2-hydroxy-3-(phenylthio)propyl]-1-piperazinyl]-N-phenylpropanamide IUPAC Name: 2-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]-N-phenylpropanamide Traditional Name: 2-[4-[2-hydroxy-3-(phenylthio)propyl]piperazino]-N-phenyl-propionamide Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2CCN(CC2)CC(CSC3=CC=CC=C3)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)N2CCN(CC2)CC(CSC3=CC=CC=C3)O

InChI

InChI=1S/C22H29N3O2S/c1-18(22(27)23-19-8-4-2-5-9-19)25-14-12-24(13-15-25)16-20(26)17-28-21-10-6-3-7-11-21/h2-11,18,20,26H,12-17H2,1H3,(H,23,27)