S-[5-[(6-chloranyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-chloranyl-1H-benzimidazole-2-carbothioate dihydrochloride

Systemtic Name: S-[5-[(6-chloranyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-chloranyl-1H-benzimidazole-2-carbothioate dihydrochloride Openeye Name: S-[5-(6-chloro-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-chloro-1H-benzimidazole-2-carbothioate dihydrochloride CAS Name: 6-chloro-1H-benzimidazole-2-carbothioic acid S-[5-[[(6-chloro-1H-benzimidazol-2-yl)-oxomethyl]thio]pentyl] ester dihydrochloride IUPAC Name: S-[5-(6-chloro-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-chloro-1H-benzimidazole-2-carbothioate dihydrochloride Traditional Name: 6-chloro-1H-benzimidazole-2-carbothioic acid S-[5-[(6-chloro-1H-benzimidazole-2-carbonyl)thio]pentyl] ester dihydrochloride Formula: C21H20Cl4N4O2S2 MolecularWeight: 566.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H18Cl2N4O2S2.2ClH/c22-12-4-6-14-16(10-12)26-18(24-14)20(28)30-8-2-1-3-9-31-21(29)19-25-15-7-5-13(23)11-17(15)27-19;;/h4-7,10-11H,1-3,8-9H2,(H,24,26)(H,25,27);2*1H