N-(2,5-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C18H19N3O2S/c1-11-4-5-12(2)15(8-11)19-17(22)10-24-18-20-14-7-6-13(23-3)9-16(14)21-18/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)/p+1