2-[4-[6-chloranyl-2-(oxan-4-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride

Systemtic Name: 2-[4-[6-chloranyl-2-(oxan-4-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-(6-chloro-2-tetrahydropyran-4-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[6-chloro-2-(4-oxanylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-[6-chloro-2-(oxan-4-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[6-chloro-2-(tetrahydropyran-4-ylthio)-1H-benzimidazol-5-yl]piperazino]ethanol dihydrochloride Formula: C18H27Cl3N4O2S MolecularWeight: 469.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO.Cl.Cl

Isomeric SMILES

C1COCCC1SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO.Cl.Cl

InChI

InChI=1S/C18H25ClN4O2S.2ClH/c19-14-11-15-16(21-18(20-15)26-13-1-9-25-10-2-13)12-17(14)23-5-3-22(4-6-23)7-8-24;;/h11-13,24H,1-10H2,(H,20,21);2*1H