1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzylsulfanyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzylsulfanylpropan-1-one Traditional Name: 2-(benzylthio)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c1-17(28-15-18-5-3-2-4-6-18)22(25)24-11-9-23(10-12-24)14-19-7-8-20-21(13-19)27-16-26-20/h2-8,13,17H,9-12,14-16H2,1H3