2-[4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(3-chlorobenzyl)thio]acetyl]piperazino]-N-phenyl-acetamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-18-6-4-5-17(13-18)15-28-16-21(27)25-11-9-24(10-12-25)14-20(26)23-19-7-2-1-3-8-19/h1-8,13H,9-12,14-16H2,(H,23,26)