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

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4-bromo-2-fluoro-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-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=C(C=C2)Br)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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