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

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C16H12BrClN4O5S MolecularWeight: 487.71228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

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