2,3,5,6-tetrakis(fluoranyl)-4-methoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 2,3,5,6-tetrakis(fluoranyl)-4-methoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H11F4N3O5S MolecularWeight: 433.334253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C(=C(C(=C2F)F)OC)F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C(=C(C(=C2F)F)OC)F)F

InChI

InChI=1S/C16H11F4N3O5S/c1-27-8-5-6(23(25)26)3-4-7(8)21-16(29)22-15(24)9-10(17)12(19)14(28-2)13(20)11(9)18/h3-5H,1-2H3,(H2,21,22,24,29)