5-bromanyl-2-methoxy-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C16H13BrN4O5S MolecularWeight: 453.26722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN4O5S/c1-26-13-7-6-9(17)8-11(13)14(22)18-16(27)20-19-15(23)10-4-2-3-5-12(10)21(24)25/h2-8H,1H3,(H,19,23)(H2,18,20,22,27)