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

Systemtic Name: 6-chloranyl-2-(1-methylpyrrolidin-3-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-(1-methylpyrrolidin-3-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[(1-methyl-3-pyrrolidinyl)thio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(1-methylpyrrolidin-3-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[(1-methylpyrrolidin-3-yl)thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C16H24Cl3N5S MolecularWeight: 424.81926

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

CN1CCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C16H22ClN5S.2ClH/c1-21-5-2-11(10-21)23-16-19-13-8-12(17)15(9-14(13)20-16)22-6-3-18-4-7-22;;/h8-9,11,18H,2-7,10H2,1H3,(H,19,20);2*1H