N-[4-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-fluoro-benzamide CAS Name: N-[4-[[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-4-fluoro-benzamide Formula: C25H25FN2O2S MolecularWeight: 436.541603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H25FN2O2S/c1-4-18-7-5-6-16(2)23(18)28-24(29)17(3)31-22-14-12-21(13-15-22)27-25(30)19-8-10-20(26)11-9-19/h5-15,17H,4H2,1-3H3,(H,27,30)(H,28,29)