[2-(methylcarbamothioyl)-2-(4-nitroimidazol-1-yl)cyclohexyl] benzoate

Systemtic Name: [2-(methylcarbamothioyl)-2-(4-nitroimidazol-1-yl)cyclohexyl] benzoate Openeye Name: [2-(methylcarbamothioyl)-2-(4-nitroimidazol-1-yl)cyclohexyl] benzoate CAS Name: benzoic acid [2-[methylamino(sulfanylidene)methyl]-2-(4-nitro-1-imidazolyl)cyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-2-(4-nitroimidazol-1-yl)cyclohexyl] benzoate Traditional Name: benzoic acid [2-(methylthiocarbamoyl)-2-(4-nitroimidazol-1-yl)cyclohexyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-19-17(27)18(21-11-15(20-12-21)22(24)25)10-6-5-9-14(18)26-16(23)13-7-3-2-4-8-13/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,19,27)