2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(5-methylisoxazol-3-yl)butanamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(5-methylisoxazol-3-yl)butyramide Formula: C15H17N4O2S+ MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C15H16N4O2S/c1-3-12(14(20)18-13-8-9(2)21-19-13)22-15-16-10-6-4-5-7-11(10)17-15/h4-8,12H,3H2,1-2H3,(H,16,17)(H,18,19,20)/p+1