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

Systemtic Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propylsulfanyl]phenyl]-2-fluoro-benzamide CAS Name: N-[3-[[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propylthio]phenyl]-2-fluoro-benzamide Formula: C26H27FN2O2S MolecularWeight: 450.568183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C26H27FN2O2S/c1-4-18-11-8-10-17(3)24(18)29-26(31)23(5-2)32-20-13-9-12-19(16-20)28-25(30)21-14-6-7-15-22(21)27/h6-16,23H,4-5H2,1-3H3,(H,28,30)(H,29,31)