5-bromanyl-2-ethoxy-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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