N-methyl-1-(4-nitroimidazol-1-yl)-2-oxidanyl-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-1-(4-nitroimidazol-1-yl)-2-oxidanyl-cyclohexane-1-carbothioamide Openeye Name: 2-hydroxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarbothioamide CAS Name: 2-hydroxy-N-methyl-1-(4-nitro-1-imidazolyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-hydroxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexane-1-carbothioamide Traditional Name: 2-hydroxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarbothioamide Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1O)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)C1(CCCCC1O)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O3S/c1-12-10(19)11(5-3-2-4-8(11)16)14-6-9(13-7-14)15(17)18/h6-8,16H,2-5H2,1H3,(H,12,19)