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

Systemtic Name: N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C16H11Br2ClN4O5S MolecularWeight: 566.60834

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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)Br)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11Br2ClN4O5S/c17-9-2-4-13(10(18)6-9)28-7-14(24)21-22-16(29)20-15(25)8-1-3-11(19)12(5-8)23(26)27/h1-6H,7H2,(H,21,24)(H2,20,22,25,29)