3-cyano-4-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-N-oxidanyl-benzeneamine oxide hydroiodide

Systemtic Name: 3-cyano-4-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-N-oxidanyl-benzeneamine oxide hydroiodide Openeye Name: 4-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-3-cyano-N-hydroxy-benzeneamine oxide hydroiodide CAS Name: 4-[[benzoylimino-(methylthio)methyl]amino]-3-cyano-N-hydroxybenzeneamine oxide hydroiodide IUPAC Name: 4-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-3-cyano-N-hydroxybenzeneamine oxide hydroiodide Traditional Name: 4-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-3-cyano-N-hydroxy-benzeneamine oxide hydroiodide Formula: C16H15IN4O3S MolecularWeight: 470.28477

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C=C(C=C2)[NH+](O)[O-])C#N.I

Isomeric SMILES

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C=C(C=C2)[NH+](O)[O-])C#N.I

InChI

InChI=1S/C16H14N4O3S.HI/c1-24-16(19-15(21)11-5-3-2-4-6-11)18-14-8-7-13(20(22)23)9-12(14)10-17;/h2-9,20,22H,1H3,(H,18,19,21);1H