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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C13H16FN3O3S MolecularWeight: 313.347843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O3S/c1-2-3-4-5-12(18)16-13(21)15-11-8-9(17(19)20)6-7-10(11)14/h6-8H,2-5H2,1H3,(H2,15,16,18,21)