N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H11BrClN5O7S MolecularWeight: 532.70984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Br)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Br)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11BrClN5O7S/c17-12-5-9(18)1-2-13(12)30-7-14(24)20-21-16(31)19-15(25)8-3-10(22(26)27)6-11(4-8)23(28)29/h1-6H,7H2,(H,20,24)(H2,19,21,25,31)