N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4-bromo-2-fluoro-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C16H13BrFN3O4S MolecularWeight: 442.259523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrFN3O4S/c1-2-25-14-6-3-9(7-13(14)21(23)24)15(22)20-16(26)19-12-5-4-10(17)8-11(12)18/h3-8H,2H2,1H3,(H2,19,20,22,26)