6-chloranyl-2-(4-methoxy-4-methyl-pentan-2-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(4-methoxy-4-methyl-pentan-2-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-(3-methoxy-1,3-dimethyl-butyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[(4-methoxy-4-methylpentan-2-yl)thio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(4-methoxy-4-methylpentan-2-yl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[(3-methoxy-1,3-dimethyl-butyl)thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C18H29Cl3N4OS MolecularWeight: 455.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4OS.2ClH/c1-12(11-18(2,3)24-4)25-17-21-14-9-13(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