6-chloranyl-2-(1-methylpiperidin-3-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(1-methylpiperidin-3-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-[(1-methyl-3-piperidyl)sulfanyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[(1-methyl-3-piperidinyl)thio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(1-methylpiperidin-3-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[(1-methyl-3-piperidyl)thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C17H26Cl3N5S MolecularWeight: 438.84584

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

CN1CCCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C17H24ClN5S.2ClH/c1-22-6-2-3-12(11-22)24-17-20-14-9-13(18)16(10-15(14)21-17)23-7-4-19-5-8-23;;/h9-10,12,19H,2-8,11H2,1H3,(H,20,21);2*1H