N-(5-chloranyl-2-oxidanyl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-chloro-2-hydroxy-phenyl)acetamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-hydroxy-phenyl)acetamide Formula: C22H19ClN3O2S+ MolecularWeight: 424.92316

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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=C(C=CC(=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S/c23-16-10-11-20(27)18(12-16)24-21(28)14-29-22-25-17-8-4-5-9-19(17)26(22)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,24,27,28)/p+1