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

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-13-14(2)24(16-8-6-5-7-9-16)21(22-13)30-15(3)20(26)23-18-12-17(25(27)28)10-11-19(18)29-4/h10-12,15-16H,5-9H2,1-4H3,(H,23,26)