5-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-2-furamide Formula: C13H9BrN4O5S MolecularWeight: 413.20336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H9BrN4O5S/c14-10-5-4-9(23-10)12(20)15-13(24)17-16-11(19)7-2-1-3-8(6-7)18(21)22/h1-6H,(H,16,19)(H2,15,17,20,24)