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

Systemtic Name: 5-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C20H21BrFN3O4S MolecularWeight: 498.365843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C20H21BrFN3O4S/c1-2-3-4-5-10-29-18-9-6-13(21)11-15(18)19(26)24-20(30)23-17-12-14(25(27)28)7-8-16(17)22/h6-9,11-12H,2-5,10H2,1H3,(H2,23,24,26,30)