2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-oxidanylidenechromen-6-yl)ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-oxidanylidenechromen-6-yl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-oxo-1-benzopyran-6-yl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide Traditional Name: N-(2-ketochromen-6-yl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C19H16N3O3S+ MolecularWeight: 366.41364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C19H15N3O3S/c1-22-15-5-3-2-4-14(15)21-19(22)26-11-17(23)20-13-7-8-16-12(10-13)6-9-18(24)25-16/h2-10H,11H2,1H3,(H,20,23)/p+1