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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C17H15BrN4O5S MolecularWeight: 467.2938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN4O5S/c1-2-27-14-8-7-10(18)9-12(14)15(23)19-17(28)21-20-16(24)11-5-3-4-6-13(11)22(25)26/h3-9H,2H2,1H3,(H,20,24)(H2,19,21,23,28)