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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C15H11FN4O6S MolecularWeight: 394.334443

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H11FN4O6S/c1-26-13-5-2-8(6-12(13)20(24)25)14(21)18-15(27)17-11-7-9(19(22)23)3-4-10(11)16/h2-7H,1H3,(H2,17,18,21,27)