N-[4-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[2-(4-butoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-fluoro-benzamide CAS Name: N-[4-[[1-(4-butoxyanilino)-1-oxopropan-2-yl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[4-[[2-(4-butoxyanilino)-2-keto-1-methyl-ethyl]thio]phenyl]-4-fluoro-benzamide Formula: C26H27FN2O3S MolecularWeight: 466.567583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H27FN2O3S/c1-3-4-17-32-23-13-9-21(10-14-23)28-25(30)18(2)33-24-15-11-22(12-16-24)29-26(31)19-5-7-20(27)8-6-19/h5-16,18H,3-4,17H2,1-2H3,(H,28,30)(H,29,31)