2-(4-bromanylphenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]acetamide Formula: C16H12BrClN4O5S MolecularWeight: 487.71228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrClN4O5S/c17-10-2-4-11(5-3-10)27-8-14(23)19-16(28)21-20-15(24)9-1-6-12(18)13(7-9)22(25)26/h1-7H,8H2,(H,20,24)(H2,19,21,23,28)