2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C18H17FN4O4S MolecularWeight: 404.415383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O4S/c1-3-27-12-5-7-14-15(9-12)22-18(21-14)28-10(2)17(24)20-11-4-6-13(19)16(8-11)23(25)26/h4-10H,3H2,1-2H3,(H,20,24)(H,21,22)