N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-[(1H-benzimidazol-2-ylthio)methyl]benzamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-[(1H-benzimidazol-2-ylthio)methyl]benzamide Formula: C23H20N5OS+ MolecularWeight: 414.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)N

InChI

InChI=1S/C23H19N5OS/c24-21-18-6-2-1-5-17(18)13-28(21)27-22(29)16-11-9-15(10-12-16)14-30-23-25-19-7-3-4-8-20(19)26-23/h1-12,24H,13-14H2,(H2,25,26,27,29)/p+1