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

Systemtic Name: 5-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C15H11BrFN3O4S MolecularWeight: 428.232943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrFN3O4S/c1-24-13-5-2-8(16)6-10(13)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)