3-[4-(9-fluoranyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-(9-fluoranyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-[9-fluoro-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-[9-fluoro-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazino]propan-1-ol Formula: C22H27FN2OS2 MolecularWeight: 418.590983

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCCO)C=CC(=C3)F

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCCO)C=CC(=C3)F

InChI

InChI=1S/C22H27FN2OS2/c1-27-18-5-6-21-19(15-18)20(13-16-3-4-17(23)14-22(16)28-21)25-10-8-24(9-11-25)7-2-12-26/h3-6,14-15,20,26H,2,7-13H2,1H3