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

Systemtic Name: 6-chloranyl-2-[2-(oxan-4-yl)ethylsulfanyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-piperazin-1-yl-2-(2-tetrahydropyran-4-ylethylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[2-(4-oxanyl)ethylthio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-[2-(oxan-4-yl)ethylsulfanyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-piperazino-2-(2-tetrahydropyran-4-ylethylthio)-1H-benzimidazole dihydrochloride Formula: C18H27Cl3N4OS MolecularWeight: 453.85718

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CCSC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

C1COCCC1CCSC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C18H25ClN4OS.2ClH/c19-14-11-15-16(12-17(14)23-6-4-20-5-7-23)22-18(21-15)25-10-3-13-1-8-24-9-2-13;;/h11-13,20H,1-10H2,(H,21,22);2*1H