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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C22H20N3O2S+ MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-25-20-10-6-5-9-19(20)24-22(25)28-15-21(26)23-16-11-13-18(14-12-16)27-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,26)/p+1