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

Systemtic Name: 2-butoxy-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-butoxy-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-butoxy-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H18FN3O4S/c1-2-3-10-26-16-7-5-4-6-13(16)17(23)21-18(27)20-15-11-12(22(24)25)8-9-14(15)19/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,27)