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

Systemtic Name: N-[2-(phenylcarbonyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-benzoylphenyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2-benzoylphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-(2-benzoylphenyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2-benzoylphenyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C29H24N3O2S+ MolecularWeight: 478.58476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O2S/c33-27(30-24-16-8-7-15-23(24)28(34)22-13-5-2-6-14-22)20-35-29-31-25-17-9-10-18-26(25)32(29)19-21-11-3-1-4-12-21/h1-18H,19-20H2,(H,30,33,34)/p+1