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

Systemtic Name: 3-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-[9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-[9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazino]propan-1-ol Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S2/c1-27-18-5-4-17-14-21(25-11-9-24(10-12-25)8-3-13-26)20-16-19(28-2)6-7-22(20)29-23(17)15-18/h4-7,15-16,21,26H,3,8-14H2,1-2H3