3-chloranyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride

Systemtic Name: 3-chloranyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride Openeye Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride CAS Name: 3-chloro-6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride Traditional Name: 3-chloro-6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride Formula: C19H23Cl3N2OS MolecularWeight: 433.82272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)O.Cl.Cl

InChI

InChI=1S/C19H21ClN2OS.2ClH/c1-21-6-8-22(9-7-21)17-11-13-10-14(20)2-4-18(13)24-19-5-3-15(23)12-16(17)19;;/h2-5,10,12,17,23H,6-9,11H2,1H3;2*1H