N-[3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxo-1-phenylethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-[2-(2-ethyl-6-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[3-[[2-(2-ethyl-6-methyl-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C30H27FN2O2S MolecularWeight: 498.610983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C30H27FN2O2S/c1-3-21-14-9-11-20(2)27(21)33-30(35)28(22-12-5-4-6-13-22)36-24-16-10-15-23(19-24)32-29(34)25-17-7-8-18-26(25)31/h4-19,28H,3H2,1-2H3,(H,32,34)(H,33,35)