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

Systemtic Name: (4-methoxyphenyl)methyl N-methyl-1-(4-nitroimidazol-1-yl)-2-oxidanyl-cyclohexane-1-carboximidothioate Openeye Name: (4-methoxyphenyl)methyl 2-hydroxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarboximidothioate CAS Name: 2-hydroxy-N-methyl-1-(4-nitro-1-imidazolyl)-1-cyclohexanecarboximidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-hydroxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexane-1-carboximidothioate Traditional Name: 2-hydroxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarboximidothioic acid p-anisyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1O)N2C=C(N=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC

Isomeric SMILES

CN=C(C1(CCCCC1O)N2C=C(N=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H24N4O4S/c1-20-18(28-12-14-6-8-15(27-2)9-7-14)19(10-4-3-5-16(19)24)22-11-17(21-13-22)23(25)26/h6-9,11,13,16,24H,3-5,10,12H2,1-2H3