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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-phenoxyethyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-phenoxyethyl)piperazino]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H26N4O2S/c23-10-17-29-21-9-5-4-8-20(21)24-22(27)18-26-13-11-25(12-14-26)15-16-28-19-6-2-1-3-7-19/h1-9H,11-18H2,(H,24,27)