3-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C23H19BrN4O5S MolecularWeight: 543.38976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C23H19BrN4O5S/c24-19-14-17(9-10-20(19)33-12-11-15-5-2-1-3-6-15)21(29)25-23(34)27-26-22(30)16-7-4-8-18(13-16)28(31)32/h1-10,13-14H,11-12H2,(H,26,30)(H2,25,27,29,34)