[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-1-methyl-piperazin-2-yl]methanol dihydrochloride

Systemtic Name: [4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-1-methyl-piperazin-2-yl]methanol dihydrochloride Openeye Name: [4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]-1-methyl-piperazin-2-yl]methanol dihydrochloride CAS Name: [4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1-methyl-2-piperazinyl]methanol dihydrochloride IUPAC Name: [4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-1-methylpiperazin-2-yl]methanol dihydrochloride Traditional Name: [4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]-1-methyl-piperazin-2-yl]methanol dihydrochloride Formula: C18H29Cl3N4OS MolecularWeight: 455.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)CO)C.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)CO)C.Cl.Cl

InChI

InChI=1S/C18H27ClN4OS.2ClH/c1-4-13(5-2)25-18-20-15-8-14(19)17(9-16(15)21-18)23-7-6-22(3)12(10-23)11-24;;/h8-9,12-13,24H,4-7,10-11H2,1-3H3,(H,20,21);2*1H