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

Systemtic Name: 3,4,5-triethoxy-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C20H22FN3O6S/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(25)23-20(31)22-15-11-13(24(26)27)7-8-14(15)21/h7-11H,4-6H2,1-3H3,(H2,22,23,25,31)