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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

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