N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H19ClN3O3S+ MolecularWeight: 392.87976

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-22-14-7-5-4-6-12(14)21-18(22)26-10-17(23)20-13-8-11(19)15(24-2)9-16(13)25-3/h4-9H,10H2,1-3H3,(H,20,23)/p+1