S-[5-(1-methyl-5-nitro-benzimidazol-2-yl)carbonylsulfanylpentyl] 1-methyl-6-nitro-benzimidazole-2-carbothioate

Systemtic Name: S-[5-(1-methyl-5-nitro-benzimidazol-2-yl)carbonylsulfanylpentyl] 1-methyl-6-nitro-benzimidazole-2-carbothioate Openeye Name: S-[5-(1-methyl-5-nitro-benzimidazole-2-carbonyl)sulfanylpentyl] 1-methyl-6-nitro-benzimidazole-2-carbothioate CAS Name: 1-methyl-6-nitro-2-benzimidazolecarbothioic acid S-[5-[[(1-methyl-5-nitro-2-benzimidazolyl)-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(1-methyl-5-nitrobenzimidazole-2-carbonyl)sulfanylpentyl] 1-methyl-6-nitrobenzimidazole-2-carbothioate Traditional Name: 1-methyl-6-nitro-benzimidazole-2-carbothioic acid S-[5-[(1-methyl-5-nitro-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C23H22N6O6S2 MolecularWeight: 542.58738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O6S2/c1-26-18-9-7-14(28(32)33)12-17(18)25-21(26)23(31)37-11-5-3-4-10-36-22(30)20-24-16-8-6-15(29(34)35)13-19(16)27(20)2/h6-9,12-13H,3-5,10-11H2,1-2H3