3-bromanyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C16H12BrClN4O5S MolecularWeight: 487.71228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrClN4O5S/c1-27-13-5-3-8(6-10(13)17)14(23)19-16(28)21-20-15(24)9-2-4-11(18)12(7-9)22(25)26/h2-7H,1H3,(H,20,24)(H2,19,21,23,28)