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

Systemtic Name: N-(2-oxidanylidenechromen-6-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide CAS Name: N-(2-oxo-1-benzopyran-6-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-ketochromen-6-yl)acetamide Formula: C25H20N3O3S+ MolecularWeight: 442.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OC(=O)C=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OC(=O)C=C5

InChI

InChI=1S/C25H19N3O3S/c29-23(26-19-11-12-22-18(14-19)10-13-24(30)31-22)16-32-25-27-20-8-4-5-9-21(20)28(25)15-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,26,29)/p+1