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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]hexanamide Formula: C14H16F3IN2OS MolecularWeight: 444.25432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3IN2OS/c1-2-3-4-5-12(21)20-13(22)19-11-7-6-9(18)8-10(11)14(15,16)17/h6-8H,2-5H2,1H3,(H2,19,20,21,22)