1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-(4-piperonylpiperazino)ethanone Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3S/c29-26(25(21-7-3-1-4-8-21)32-22-9-5-2-6-10-22)28-15-13-27(14-16-28)18-20-11-12-23-24(17-20)31-19-30-23/h1-12,17,25H,13-16,18-19H2