N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4-bromo-2-fluoro-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C12H14BrFN2OS MolecularWeight: 333.219763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrFN2OS/c1-7(2)5-11(17)16-12(18)15-10-4-3-8(13)6-9(10)14/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17,18)