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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-hydroxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-hydroxyphenyl)piperazino]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=CC=C3O

InChI

InChI=1S/C20H22N4O2S/c21-9-14-27-19-8-4-1-5-16(19)22-20(26)15-23-10-12-24(13-11-23)17-6-2-3-7-18(17)25/h1-8,25H,10-15H2,(H,22,26)