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

Systemtic Name: 3-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride Openeye Name: 3-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride CAS Name: 3-[[[6-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]methyl]-3-pentanol dihydrochloride IUPAC Name: 3-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]pentan-3-ol dihydrochloride Traditional Name: 3-[[(6-piperazino-1H-benzimidazol-2-yl)thio]methyl]pentan-3-ol dihydrochloride Formula: C17H28Cl2N4OS MolecularWeight: 407.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CSC1=NC2=C(N1)C=C(C=C2)N3CCNCC3)O.Cl.Cl

Isomeric SMILES

CCC(CC)(CSC1=NC2=C(N1)C=C(C=C2)N3CCNCC3)O.Cl.Cl

InChI

InChI=1S/C17H26N4OS.2ClH/c1-3-17(22,4-2)12-23-16-19-14-6-5-13(11-15(14)20-16)21-9-7-18-8-10-21;;/h5-6,11,18,22H,3-4,7-10,12H2,1-2H3,(H,19,20);2*1H