6-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-2-keto-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]chromene-3-carboxamide Formula: C18H11BrN4O6S MolecularWeight: 491.27214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C18H11BrN4O6S/c19-11-4-5-14-10(6-11)8-13(17(26)29-14)16(25)20-18(30)22-21-15(24)9-2-1-3-12(7-9)23(27)28/h1-8H,(H,21,24)(H2,20,22,25,30)