6-chloranyl-2-[3-(oxan-4-yl)propylsulfanyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-[3-(oxan-4-yl)propylsulfanyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-piperazin-1-yl-2-(3-tetrahydropyran-4-ylpropylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[3-(4-oxanyl)propylthio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-[3-(oxan-4-yl)propylsulfanyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-piperazino-2-(3-tetrahydropyran-4-ylpropylthio)-1H-benzimidazole dihydrochloride Formula: C19H29Cl3N4OS MolecularWeight: 467.88376

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CCCSC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

C1COCCC1CCCSC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C19H27ClN4OS.2ClH/c20-15-12-16-17(13-18(15)24-7-5-21-6-8-24)23-19(22-16)26-11-1-2-14-3-9-25-10-4-14;;/h12-14,21H,1-11H2,(H,22,23);2*1H