N-[4-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]valeramide Formula: C20H22BrFN2O2S MolecularWeight: 453.368283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C20H22BrFN2O2S/c1-3-4-5-19(25)23-15-7-9-16(10-8-15)27-13(2)20(26)24-18-11-6-14(21)12-17(18)22/h6-13H,3-5H2,1-2H3,(H,23,25)(H,24,26)