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

Systemtic Name: 6-chloranyl-5-(4-ethylpiperazin-1-yl)-2-(4-methoxy-4-methyl-pentan-2-yl)sulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-(4-ethylpiperazin-1-yl)-2-(3-methoxy-1,3-dimethyl-butyl)sulfanyl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-5-(4-ethyl-1-piperazinyl)-2-[(4-methoxy-4-methylpentan-2-yl)thio]-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-5-(4-ethylpiperazin-1-yl)-2-(4-methoxy-4-methylpentan-2-yl)sulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-(4-ethylpiperazino)-2-[(3-methoxy-1,3-dimethyl-butyl)thio]-1H-benzimidazole dihydrochloride Formula: C20H33Cl3N4OS MolecularWeight: 483.92622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC(C)CC(C)(C)OC)Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC(C)CC(C)(C)OC)Cl.Cl.Cl

InChI

InChI=1S/C20H31ClN4OS.2ClH/c1-6-24-7-9-25(10-8-24)18-12-17-16(11-15(18)21)22-19(23-17)27-14(2)13-20(3,4)26-5;;/h11-12,14H,6-10,13H2,1-5H3,(H,22,23);2*1H