N-[3-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[1-[(2-ethoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-2-fluoro-benzamide CAS Name: N-[3-[[1-(2-ethoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[3-[1-(o-phenetylcarbamoyl)propylthio]phenyl]benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H25FN2O3S/c1-3-23(25(30)28-21-14-7-8-15-22(21)31-4-2)32-18-11-9-10-17(16-18)27-24(29)19-12-5-6-13-20(19)26/h5-16,23H,3-4H2,1-2H3,(H,27,29)(H,28,30)