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

Systemtic Name: 2-[4-(6-chloranyl-2-propan-2-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-(6-chloro-2-isopropylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[6-chloro-2-(propan-2-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-(6-chloro-2-propan-2-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[6-chloro-2-(isopropylthio)-1H-benzimidazol-5-yl]piperazino]ethanol dihydrochloride Formula: C16H25Cl3N4OS MolecularWeight: 427.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4OS.2ClH/c1-11(2)23-16-18-13-9-12(17)15(10-14(13)19-16)21-5-3-20(4-6-21)7-8-22;;/h9-11,22H,3-8H2,1-2H3,(H,18,19);2*1H