2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-piperonylpiperazino)acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C22H24N4O3S/c23-7-12-30-21-4-2-1-3-18(21)24-22(27)15-26-10-8-25(9-11-26)14-17-5-6-19-20(13-17)29-16-28-19/h1-6,13H,8-12,14-16H2,(H,24,27)