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

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-methylsulfanyl-ethanone Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-2-methylsulfanyl-ethanone CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-2-(methylthio)ethanone IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-methylsulfanylethanone Traditional Name: 2-(methylthio)-1-[3-(4-piperonylpiperazino)piperidino]ethanone Formula: C20H29N3O3S MolecularWeight: 391.52756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCC(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O3S/c1-27-14-20(24)23-6-2-3-17(13-23)22-9-7-21(8-10-22)12-16-4-5-18-19(11-16)26-15-25-18/h4-5,11,17H,2-3,6-10,12-15H2,1H3