N-[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylphenyl]-4-fluoro-benzamide CAS Name: N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[4-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]phenyl]-4-fluoro-benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H25FN2O3S/c1-2-3-16-31-22-12-8-20(9-13-22)27-24(29)17-32-23-14-10-21(11-15-23)28-25(30)18-4-6-19(26)7-5-18/h4-15H,2-3,16-17H2,1H3,(H,27,29)(H,28,30)