5-bromanyl-2-methoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[(3-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/c1-26-13-6-5-10(17)8-12(13)15(23)18-16(27)20-19-14(22)9-3-2-4-11(7-9)21(24)25/h2-8H,1H3,(H,19,22)(H2,18,20,23,27)