6-chloranyl-2-(4,4-dimethylpentan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(4,4-dimethylpentan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-piperazin-1-yl-2-(1,3,3-trimethylbutylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-(4,4-dimethylpentan-2-ylthio)-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(4,4-dimethylpentan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-piperazino-2-(1,3,3-trimethylbutylthio)-1H-benzimidazole dihydrochloride Formula: C18H29Cl3N4S MolecularWeight: 439.87366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4S.2ClH/c1-12(11-18(2,3)4)24-17-21-14-9-13(19)16(10-15(14)22-17)23-7-5-20-6-8-23;;/h9-10,12,20H,5-8,11H2,1-4H3,(H,21,22);2*1H