N-(2-methoxy-5-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C19H18N4O4S/c1-3-10-22-16-7-5-4-6-14(16)21-19(22)28-12-18(24)20-15-11-13(23(25)26)8-9-17(15)27-2/h3-9,11H,1,10,12H2,2H3,(H,20,24)