2-(4-bromanylphenoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C16H13BrN4O5S MolecularWeight: 453.26722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN4O5S/c17-10-5-7-11(8-6-10)26-9-14(22)18-16(27)20-19-15(23)12-3-1-2-4-13(12)21(24)25/h1-8H,9H2,(H,19,23)(H2,18,20,22,27)