3-bromanyl-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C23H19BrN4O5S MolecularWeight: 543.38976

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