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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2SCC#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c21-9-14-29-19-4-2-1-3-18(19)22-20(26)15-23-10-12-24(13-11-23)16-5-7-17(8-6-16)25(27)28/h1-8H,10-15H2,(H,22,26)