2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3CCCCC3)C

InChI

InChI=1S/C20H26N4O4S/c1-13-14(2)23(15-7-5-4-6-8-15)20(21-13)29-12-19(25)22-17-10-9-16(28-3)11-18(17)24(26)27/h9-11,15H,4-8,12H2,1-3H3,(H,22,25)