2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(1,3-benzothiazol-2-yl)acetamide Formula: C16H13N4OS2+ MolecularWeight: 341.43062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H12N4OS2/c21-14(20-16-19-12-7-3-4-8-13(12)23-16)9-22-15-17-10-5-1-2-6-11(10)18-15/h1-8H,9H2,(H,17,18)(H,19,20,21)/p+1