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

Systemtic Name: N-(4-iodophenyl)-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-iodophenyl)acetamide CAS Name: N-(4-iodophenyl)-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-iodophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-iodophenyl)acetamide Formula: C22H19IN3OS+ MolecularWeight: 500.37523

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C22H18IN3OS/c23-17-10-12-18(13-11-17)24-21(27)15-28-22-25-19-8-4-5-9-20(19)26(22)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)/p+1