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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCSCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c25-22(8-13-28-16-18-4-2-1-3-5-18)24-11-9-23(10-12-24)15-19-6-7-20-21(14-19)27-17-26-20/h1-7,14H,8-13,15-17H2