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

Systemtic Name: N-methyl-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-methyl-N-phenyl-propanamide CAS Name: 2-[4-[2-hydroxy-3-(phenylthio)propyl]-1-piperazinyl]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[4-[2-hydroxy-3-(phenylthio)propyl]piperazino]-N-methyl-N-phenyl-propionamide Formula: C23H31N3O2S MolecularWeight: 413.57614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-19(23(28)24(2)20-9-5-3-6-10-20)26-15-13-25(14-16-26)17-21(27)18-29-22-11-7-4-8-12-22/h3-12,19,21,27H,13-18H2,1-2H3