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

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]acetamide Formula: C16H11BrCl2N4O5S MolecularWeight: 522.15734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrCl2N4O5S/c17-9-2-4-13(11(19)6-9)28-7-14(24)20-16(29)22-21-15(25)8-1-3-10(18)12(5-8)23(26)27/h1-6H,7H2,(H,21,25)(H2,20,22,24,29)