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

Systemtic Name: 2-[4-[6-chloranyl-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-[6-chloro-2-(1,1-dimethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[6-chloro-2-(2-methylbutan-2-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-[6-chloro-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[2-(tert-amylthio)-6-chloro-1H-benzimidazol-5-yl]piperazino]ethanol dihydrochloride Formula: C18H29Cl3N4OS MolecularWeight: 455.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CCO.Cl.Cl

Isomeric SMILES

CCC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CCO.Cl.Cl

InChI

InChI=1S/C18H27ClN4OS.2ClH/c1-4-18(2,3)25-17-20-14-11-13(19)16(12-15(14)21-17)23-7-5-22(6-8-23)9-10-24;;/h11-12,24H,4-10H2,1-3H3,(H,20,21);2*1H