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

Systemtic Name: (4-methoxyphenyl)methyl N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxy-cyclohexane-1-carboximidothioate Openeye Name: (4-methoxyphenyl)methyl 2-benzyloxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarboximidothioate CAS Name: N-methyl-1-(4-nitro-1-imidazolyl)-2-phenylmethoxy-1-cyclohexanecarboximidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl N-methyl-1-(4-nitroimidazol-1-yl)-2-phenylmethoxycyclohexane-1-carboximidothioate Traditional Name: 2-benzoxy-N-methyl-1-(4-nitroimidazol-1-yl)cyclohexanecarboximidothioic acid p-anisyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN=C(C1(CCCCC1OCC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N4O4S/c1-27-25(35-18-21-11-13-22(33-2)14-12-21)26(29-16-24(28-19-29)30(31)32)15-7-6-10-23(26)34-17-20-8-4-3-5-9-20/h3-5,8-9,11-14,16,19,23H,6-7,10,15,17-18H2,1-2H3