2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(4-chlorophenyl)butanamide

Systemtic Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(4-chlorophenyl)butanamide Openeye Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(4-chlorophenyl)butanamide CAS Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylthio)-N-(4-chlorophenyl)butanamide IUPAC Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylsulfanyl)-N-(4-chlorophenyl)butanamide Traditional Name: 2-(12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-ylthio)-N-(4-chlorophenyl)butyramide Formula: C24H20ClN4OS+ MolecularWeight: 447.9598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN4OS/c1-2-21(23(30)26-16-13-11-15(25)12-14-16)31-24-28-18-8-4-3-7-17(18)22-27-19-9-5-6-10-20(19)29(22)24/h3-14,21H,2H2,1H3,(H,26,30)/p+1