2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[(1-methyl-2-imidazolyl)-phenylmethyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-24-11-10-22-21(24)20(16-6-4-3-5-7-16)23-19(26)14-30-13-15-8-9-18(29-2)17(12-15)25(27)28/h3-12,20H,13-14H2,1-2H3,(H,23,26)