6-chloranyl-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole trihydrochloride

Systemtic Name: 6-chloranyl-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole trihydrochloride Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole trihydrochloride CAS Name: 6-chloro-5-[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]-2-(pentan-3-ylthio)-1H-benzimidazole trihydrochloride IUPAC Name: 6-chloro-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole trihydrochloride Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-[4-(1H-imidazol-2-ylmethyl)piperazino]-1H-benzimidazole trihydrochloride Formula: C20H30Cl4N6S MolecularWeight: 528.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=NC=CN4.Cl.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=NC=CN4.Cl.Cl.Cl

InChI

InChI=1S/C20H27ClN6S.3ClH/c1-3-14(4-2)28-20-24-16-11-15(21)18(12-17(16)25-20)27-9-7-26(8-10-27)13-19-22-5-6-23-19;;;/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3,(H,22,23)(H,24,25);3*1H