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

Systemtic Name: N-(4-iodanyl-2-methyl-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-(4-iodo-2-methyl-phenyl)acetamide CAS Name: N-(4-iodo-2-methylphenyl)-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-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C23H21IN3OS+ MolecularWeight: 514.40181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H20IN3OS/c1-16-13-18(24)11-12-19(16)25-22(28)15-29-23-26-20-9-5-6-10-21(20)27(23)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,28)/p+1