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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: N-[2-(phenylthio)phenyl]-2-(4-piperonylpiperazino)acetamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c30-26(27-22-8-4-5-9-25(22)33-21-6-2-1-3-7-21)18-29-14-12-28(13-15-29)17-20-10-11-23-24(16-20)32-19-31-23/h1-11,16H,12-15,17-19H2,(H,27,30)