N-[3-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-[(4-ethoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-[[1-(4-ethoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-(4-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[3-[1-(p-phenetylcarbamoyl)propylthio]phenyl]benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

InChI

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