N-(4-phenoxyphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: N-(4-phenoxyphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C28H24N3O2S+ MolecularWeight: 466.57406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O2S/c32-27(29-22-15-17-24(18-16-22)33-23-11-5-2-6-12-23)20-34-28-30-25-13-7-8-14-26(25)31(28)19-21-9-3-1-4-10-21/h1-18H,19-20H2,(H,29,32)/p+1