S-[8-(1-methylbenzimidazol-2-yl)carbonylsulfanyloctyl] 1-methylbenzimidazole-2-carbothioate

Systemtic Name: S-[8-(1-methylbenzimidazol-2-yl)carbonylsulfanyloctyl] 1-methylbenzimidazole-2-carbothioate Openeye Name: S-[8-(1-methylbenzimidazole-2-carbonyl)sulfanyloctyl] 1-methylbenzimidazole-2-carbothioate CAS Name: 1-methyl-2-benzimidazolecarbothioic acid S-[8-[[(1-methyl-2-benzimidazolyl)-oxomethyl]thio]octyl] ester IUPAC Name: S-[8-(1-methylbenzimidazole-2-carbonyl)sulfanyloctyl] 1-methylbenzimidazole-2-carbothioate Traditional Name: 1-methylbenzimidazole-2-carbothioic acid S-[8-[(1-methylbenzimidazole-2-carbonyl)thio]octyl] ester Formula: C26H30N4O2S2 MolecularWeight: 494.672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=O)SCCCCCCCCSC(=O)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(=O)SCCCCCCCCSC(=O)C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C26H30N4O2S2/c1-29-21-15-9-7-13-19(21)27-23(29)25(31)33-17-11-5-3-4-6-12-18-34-26(32)24-28-20-14-8-10-16-22(20)30(24)2/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3