3-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride

Systemtic Name: 3-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride Openeye Name: 3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride CAS Name: 3-[[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]methyl]-3-pentanol dihydrochloride IUPAC Name: 3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride Traditional Name: 3-[[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]methyl]pentan-3-ol dihydrochloride Formula: C17H27Cl3N4OS MolecularWeight: 441.84648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)O.Cl.Cl

Isomeric SMILES

CCC(CC)(CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)O.Cl.Cl

InChI

InChI=1S/C17H25ClN4OS.2ClH/c1-3-17(23,4-2)11-24-16-20-13-9-12(18)15(10-14(13)21-16)22-7-5-19-6-8-22;;/h9-10,19,23H,3-8,11H2,1-2H3,(H,20,21);2*1H