2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C17H17FN3O2S+ MolecularWeight: 346.399183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O2S/c1-2-23-13-7-8-14-15(9-13)21-17(20-14)24-10-16(22)19-12-5-3-11(18)4-6-12/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)/p+1