N-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C18H19N3O3S/c1-21-15-7-5-4-6-13(15)20-18(21)25-11-17(22)19-14-10-12(23-2)8-9-16(14)24-3/h4-10H,11H2,1-3H3,(H,19,22)/p+1