S-(1-cyclohexylcarbonyl-5-nitro-benzimidazol-2-yl) cyclohexanecarbothioate

Systemtic Name: S-(1-cyclohexylcarbonyl-5-nitro-benzimidazol-2-yl) cyclohexanecarbothioate Openeye Name: S-[1-(cyclohexanecarbonyl)-5-nitro-benzimidazol-2-yl] cyclohexanecarbothioate CAS Name: cyclohexanecarbothioic acid S-[1-[cyclohexyl(oxo)methyl]-5-nitro-2-benzimidazolyl] ester IUPAC Name: S-[1-(cyclohexanecarbonyl)-5-nitrobenzimidazol-2-yl] cyclohexanecarbothioate Traditional Name: cyclohexanecarbothioic acid S-[1-(cyclohexanecarbonyl)-5-nitro-benzimidazol-2-yl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC(=O)C4CCCCC4

InChI

InChI=1S/C21H25N3O4S/c25-19(14-7-3-1-4-8-14)23-18-12-11-16(24(27)28)13-17(18)22-21(23)29-20(26)15-9-5-2-6-10-15/h11-15H,1-10H2