N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazino]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H23N5OS/c23-9-14-29-21-4-2-1-3-20(21)25-22(28)17-27-12-10-26(11-13-27)16-19-7-5-18(15-24)6-8-19/h1-8H,10-14,16-17H2,(H,25,28)