1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol Traditional Name: 1-(4-benzylpiperazino)-3-thiochroman-8-yloxy-propan-2-ol Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)SC1

InChI

InChI=1S/C23H30N2O2S/c26-21(18-27-22-10-4-8-20-9-5-15-28-23(20)22)17-25-13-11-24(12-14-25)16-19-6-2-1-3-7-19/h1-4,6-8,10,21,26H,5,9,11-18H2