3-bromanyl-4-ethoxy-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C16H15BrN4O4S MolecularWeight: 439.2837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H15BrN4O4S/c1-2-25-14-8-3-10(9-13(14)17)15(22)18-16(26)20-19-11-4-6-12(7-5-11)21(23)24/h3-9,19H,2H2,1H3,(H2,18,20,22,26)