2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(3-methoxyphenyl)butanamide

Systemtic Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(3-methoxyphenyl)butanamide Openeye Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(3-methoxyphenyl)butanamide CAS Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylthio)-N-(3-methoxyphenyl)butanamide IUPAC Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(3-methoxyphenyl)butanamide Traditional Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylthio)-N-(3-methoxyphenyl)butyramide Formula: C25H23N4O2S+ MolecularWeight: 443.54072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC=CC=C3C4=[N+]2C5=CC=CC=C5N4

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC=CC=C3C4=[N+]2C5=CC=CC=C5N4

InChI

InChI=1S/C25H22N4O2S/c1-3-22(24(30)26-16-9-8-10-17(15-16)31-2)32-25-28-19-12-5-4-11-18(19)23-27-20-13-6-7-14-21(20)29(23)25/h4-15,22H,3H2,1-2H3,(H,26,30)/p+1