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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Openeye Name: 5-(4-methylpiperazin-1-yl)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol CAS Name: 5-(4-methyl-1-piperazinyl)-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-9-ol IUPAC Name: 5-(4-methylpiperazin-1-yl)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Traditional Name: 5-(4-methylpiperazino)-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Formula: C20H24N2OS2 MolecularWeight: 372.54736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)SC

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)SC

InChI

InChI=1S/C20H24N2OS2/c1-21-7-9-22(10-8-21)18-11-14-3-4-15(23)12-20(14)25-19-6-5-16(24-2)13-17(18)19/h3-6,12-13,18,23H,7-11H2,1-2H3