4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentan-2-ol dihydrochloride

Systemtic Name: 4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentan-2-ol dihydrochloride Openeye Name: 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentan-2-ol dihydrochloride CAS Name: 4-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-2-pentanol dihydrochloride IUPAC Name: 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentan-2-ol dihydrochloride Traditional Name: 4-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]pentan-2-ol dihydrochloride Formula: C16H25Cl3N4OS MolecularWeight: 427.8199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)O.Cl.Cl

Isomeric SMILES

CC(CC(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)O.Cl.Cl

InChI

InChI=1S/C16H23ClN4OS.2ClH/c1-10(22)7-11(2)23-16-19-13-8-12(17)15(9-14(13)20-16)21-5-3-18-4-6-21;;/h8-11,18,22H,3-7H2,1-2H3,(H,19,20);2*1H