3-[4-(8-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-(8-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(8-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-[8-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(8-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-[8-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(C=C1)SC3=C(C=C(C=C3)SC)C(C2)N4CCN(CC4)CCCO

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=C(C=C(C=C3)SC)C(C2)N4CCN(CC4)CCCO

InChI

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