2-[4-[3-(4-methylphenyl)sulfanyl-2-oxidanyl-propyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[3-(4-methylphenyl)sulfanyl-2-oxidanyl-propyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-hydroxy-3-(p-tolylsulfanyl)propyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-hydroxy-3-[(4-methylphenyl)thio]propyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-hydroxy-3-(4-methylphenyl)sulfanylpropyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-hydroxy-3-(p-tolylthio)propyl]piperazino]-N-phenyl-acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CN2CCN(CC2)CC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CN2CCN(CC2)CC(=O)NC3=CC=CC=C3)O

InChI

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