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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]pentanamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]pentanamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]valeramide Formula: C12H14FN3O3S MolecularWeight: 299.321263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C12H14FN3O3S/c1-2-3-4-11(17)15-12(20)14-10-7-8(16(18)19)5-6-9(10)13/h5-7H,2-4H2,1H3,(H2,14,15,17,20)