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

Systemtic Name: 5-bromanyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-2-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)Br)C(=O)NC(=S)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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