N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C13H14F3IN2OS MolecularWeight: 430.22774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3IN2OS/c1-7(2)5-11(20)19-12(21)18-10-4-3-8(17)6-9(10)13(14,15)16/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20,21)