2-(4-chlorophenyl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C25H26ClN3OS MolecularWeight: 452.01144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3OS/c26-21-6-12-24(13-7-21)31-19-25(30)27-22-8-10-23(11-9-22)29-16-14-28(15-17-29)18-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)