3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(2-fluoro-5-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=C(C=CC(=C2)[N+](=O)[O-])F)Br

Isomeric SMILES

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

InChI

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