N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylthio]phenyl]-3,3-dimethyl-butyramide Formula: C22H26BrFN2O2S MolecularWeight: 481.421443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H26BrFN2O2S/c1-5-19(21(28)26-18-10-9-14(23)11-17(18)24)29-16-8-6-7-15(12-16)25-20(27)13-22(2,3)4/h6-12,19H,5,13H2,1-4H3,(H,25,27)(H,26,28)