S-[5-(1-methylsulfonylbenzimidazol-2-yl)carbonylsulfanylpentyl] 1-methylsulfonylbenzimidazole-2-carbothioate

Systemtic Name: S-[5-(1-methylsulfonylbenzimidazol-2-yl)carbonylsulfanylpentyl] 1-methylsulfonylbenzimidazole-2-carbothioate Openeye Name: S-[5-(1-methylsulfonylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-methylsulfonylbenzimidazole-2-carbothioate CAS Name: 1-methylsulfonyl-2-benzimidazolecarbothioic acid S-[5-[[(1-methylsulfonyl-2-benzimidazolyl)-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(1-methylsulfonylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-methylsulfonylbenzimidazole-2-carbothioate Traditional Name: 1-mesylbenzimidazole-2-carbothioic acid S-[5-[(1-mesylbenzimidazole-2-carbonyl)thio]pentyl] ester Formula: C23H24N4O6S4 MolecularWeight: 580.71986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3S(=O)(=O)C

InChI

InChI=1S/C23H24N4O6S4/c1-36(30,31)26-18-12-6-4-10-16(18)24-20(26)22(28)34-14-8-3-9-15-35-23(29)21-25-17-11-5-7-13-19(17)27(21)37(2,32)33/h4-7,10-13H,3,8-9,14-15H2,1-2H3