N-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C26H27FN2O2S MolecularWeight: 450.568183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C26H27FN2O2S/c1-26(2,3)17-23(30)28-20-13-15-22(16-14-20)32-24(18-7-5-4-6-8-18)25(31)29-21-11-9-19(27)10-12-21/h4-16,24H,17H2,1-3H3,(H,28,30)(H,29,31)