N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C16H11BrCl2N4O5S MolecularWeight: 522.15734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(=S)NNC(=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)21-22-16(29)20-15(25)8-1-3-10(18)12(5-8)23(26)27/h1-6H,7H2,(H,21,24)(H2,20,22,25,29)