N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(m-tolylmethyl)piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(3-methylbenzyl)piperazino]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H26N4OS/c1-18-5-4-6-19(15-18)16-25-10-12-26(13-11-25)17-22(27)24-20-7-2-3-8-21(20)28-14-9-23/h2-8,15H,10-14,16-17H2,1H3,(H,24,27)