1-(4-ethanoylpiperazin-1-yl)-2-[[2-(4-fluoranylphenoxy)phenyl]methylsulfanyl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[2-(4-fluoranylphenoxy)phenyl]methylsulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[2-(4-fluorophenoxy)phenyl]methylsulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[2-(4-fluorophenoxy)phenyl]methylthio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[2-(4-fluorophenoxy)phenyl]methylsulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[2-(4-fluorophenoxy)benzyl]thio]ethanone Formula: C21H23FN2O3S MolecularWeight: 402.482323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2OC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-16(25)23-10-12-24(13-11-23)21(26)15-28-14-17-4-2-3-5-20(17)27-19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3