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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]cyclopentanecarboxamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]cyclopentanecarboxamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]cyclopentanecarboxamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]cyclopentanecarboxamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]cyclopentanecarboxamide Formula: C13H14FN3O3S MolecularWeight: 311.331963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

C1CCC(C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C13H14FN3O3S/c14-10-6-5-9(17(19)20)7-11(10)15-13(21)16-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16,18,21)