N-(anthracen-9-ylmethylideneamino)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(anthracen-9-ylmethylideneamino)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(9-anthrylmethyleneamino)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(9-anthracenylmethylideneamino)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(anthracen-9-ylmethylideneamino)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(9-anthrylmethyleneamino)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C25H21N4OS+ MolecularWeight: 425.52544

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C25H20N4OS/c1-29-23-13-7-6-12-22(23)27-25(29)31-16-24(30)28-26-15-21-19-10-4-2-8-17(19)14-18-9-3-5-11-20(18)21/h2-15H,16H2,1H3,(H,28,30)/p+1