2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C17H18N3O3S+ MolecularWeight: 344.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C17H17N3O3S/c1-22-12-5-3-11(4-6-12)18-16(21)10-24-17-19-14-8-7-13(23-2)9-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)/p+1