2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-mesityl-acetamide Formula: C25H26N3OS+ MolecularWeight: 416.55844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3OS/c1-17-13-18(2)24(19(3)14-17)27-23(29)16-30-25-26-21-11-7-8-12-22(21)28(25)15-20-9-5-4-6-10-20/h4-14H,15-16H2,1-3H3,(H,27,29)/p+1