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

Systemtic Name: S-[5-[(6-methyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-methyl-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(6-methyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-methyl-1H-benzimidazole-2-carbothioate CAS Name: 6-methyl-1H-benzimidazole-2-carbothioic acid S-[5-[[(6-methyl-1H-benzimidazol-2-yl)-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(6-methyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-methyl-1H-benzimidazole-2-carbothioate Traditional Name: 6-methyl-1H-benzimidazole-2-carbothioic acid S-[5-[(6-methyl-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C23H24N4O2S2/c1-14-6-8-16-18(12-14)26-20(24-16)22(28)30-10-4-3-5-11-31-23(29)21-25-17-9-7-15(2)13-19(17)27-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,26)(H,25,27)