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

Systemtic Name: 3-bromanyl-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C15H11BrFN3O4S MolecularWeight: 428.232943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Br

InChI

InChI=1S/C15H11BrFN3O4S/c1-24-13-5-2-8(6-10(13)16)14(21)19-15(25)18-9-3-4-11(17)12(7-9)20(22)23/h2-7H,1H3,(H2,18,19,21,25)