[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-(2-methyl-5-nitro-imidazol-1-yl)acetate CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)acetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-(2-methyl-5-nitroimidazol-1-yl)acetate Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)acetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)OC2CCCCC2(C3=CN=CC=C3)C(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)O[C@@H]2CCCC[C@@]2(C3=CN=CC=C3)C(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4S/c1-13-22-11-16(24(26)27)23(13)12-17(25)28-15-7-3-4-8-19(15,18(29)20-2)14-6-5-9-21-10-14/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,20,29)/t15-,19+/m1/s1