methyl N-(4-bromophenyl)-N'-(3,5-dinitrophenyl)carbonyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-(4-bromophenyl)-N'-(3,5-dinitrophenyl)carbonyl-carbamimidothioate hydroiodide Openeye Name: N-[(4-bromoanilino)-methylsulfanyl-methylene]-3,5-dinitro-benzamide hydroiodide CAS Name: N-(4-bromophenyl)-N'-[(3,5-dinitrophenyl)-oxomethyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-(4-bromophenyl)-N'-(3,5-dinitrobenzoyl)carbamimidothioate hydroiodide Traditional Name: N-[(4-bromoanilino)-(methylthio)methylene]-3,5-dinitro-benzamide hydroiodide Formula: C15H12BrIN4O5S MolecularWeight: 567.15305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN4O5S.HI/c1-26-15(17-11-4-2-10(16)3-5-11)18-14(21)9-6-12(19(22)23)8-13(7-9)20(24)25;/h2-8H,1H3,(H,17,18,21);1H