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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C20H22FN3O4S/c1-2-3-4-7-12-28-18-9-6-5-8-15(18)19(25)23-20(29)22-17-13-14(24(26)27)10-11-16(17)21/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,22,23,25,29)