N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(2-bromobenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(2-bromobenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(2-bromobenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H10BrN5O6S MolecularWeight: 468.2388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C15H10BrN5O6S/c16-12-4-2-1-3-11(12)14(23)18-19-15(28)17-13(22)8-5-9(20(24)25)7-10(6-8)21(26)27/h1-7H,(H,18,23)(H2,17,19,22,28)