2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-benzyl-acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(phenylmethyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-benzylacetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-benzyl-acetamide Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C16H15N3OS/c20-15(17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)19-16/h1-9H,10-11H2,(H,17,20)(H,18,19)/p+1