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

Systemtic Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methyl]thiazole CAS Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methyl]thiazole IUPAC Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[3-(4-piperonylpiperazino)piperidino]methyl]thiazole Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC=CS2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CC2=NC=CS2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H28N4O2S/c1-2-18(14-24(6-1)15-21-22-5-11-28-21)25-9-7-23(8-10-25)13-17-3-4-19-20(12-17)27-16-26-19/h3-5,11-12,18H,1-2,6-10,13-16H2