2-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-[9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-[9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazino]ethanol Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)CCO)C=C1

Isomeric SMILES

COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)CCO)C=C1

InChI

InChI=1S/C22H28N2O2S2/c1-26-17-4-3-16-13-20(24-9-7-23(8-10-24)11-12-25)19-15-18(27-2)5-6-21(19)28-22(16)14-17/h3-6,14-15,20,25H,7-13H2,1-2H3