6-chloranyl-2-(3-methoxy-3-methyl-butyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(3-methoxy-3-methyl-butyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-(3-methoxy-3-methyl-butyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[(3-methoxy-3-methylbutyl)thio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(3-methoxy-3-methylbutyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[(3-methoxy-3-methyl-butyl)thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C17H27Cl3N4OS MolecularWeight: 441.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC.Cl.Cl

Isomeric SMILES

CC(C)(CCSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC.Cl.Cl

InChI

InChI=1S/C17H25ClN4OS.2ClH/c1-17(2,23-3)4-9-24-16-20-13-10-12(18)15(11-14(13)21-16)22-7-5-19-6-8-22;;/h10-11,19H,4-9H2,1-3H3,(H,20,21);2*1H