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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]butyramide Formula: C12H12F3IN2OS MolecularWeight: 416.20116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3IN2OS/c1-2-3-10(19)18-11(20)17-9-5-4-7(16)6-8(9)12(13,14)15/h4-6H,2-3H2,1H3,(H2,17,18,19,20)