N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]valeramide Formula: C13H14F3IN2OS MolecularWeight: 430.22774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C(F)(F)F

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C(F)(F)F

InChI

InChI=1S/C13H14F3IN2OS/c1-2-3-4-11(20)19-12(21)18-10-6-5-8(17)7-9(10)13(14,15)16/h5-7H,2-4H2,1H3,(H2,18,19,20,21)