2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C16H12BrClN4O5S MolecularWeight: 487.71228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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