1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(1,4-dithiepan-6-yl)-3-piperidyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(1,4-dithiepan-6-yl)-3-piperidinyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]piperazine Traditional Name: 1-[1-(1,4-dithiepan-6-yl)-3-piperidyl]-4-piperonyl-piperazine Formula: C22H33N3O2S2 MolecularWeight: 435.64632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CSCCSC2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C2CSCCSC2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H33N3O2S2/c1-2-19(14-25(5-1)20-15-28-10-11-29-16-20)24-8-6-23(7-9-24)13-18-3-4-21-22(12-18)27-17-26-21/h3-4,12,19-20H,1-2,5-11,13-17H2