N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C12H14ClFN2OS MolecularWeight: 288.768763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClFN2OS/c1-7(2)5-11(17)16-12(18)15-8-3-4-10(14)9(13)6-8/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17,18)