methyl N-(2-cyano-4-nitro-phenyl)-N'-(phenylcarbonyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N-(2-cyano-4-nitro-phenyl)-N'-(phenylcarbonyl)carbamimidothioate hydroiodide Openeye Name: N-[(2-cyano-4-nitro-anilino)-methylsulfanyl-methylene]benzamide hydroiodide CAS Name: N'-benzoyl-N-(2-cyano-4-nitrophenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-benzoyl-N-(2-cyano-4-nitrophenyl)carbamimidothioate hydroiodide Traditional Name: N-[(2-cyano-4-nitro-anilino)-(methylthio)methylene]benzamide hydroiodide Formula: C16H13IN4O3S MolecularWeight: 468.26889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O3S.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;/h2-9H,1H3,(H,18,19,21);1H