2-[4-[2-(3-fluorophenyl)-4-methylsulfanyl-phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(3-fluorophenyl)-4-methylsulfanyl-phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(3-fluorophenyl)-4-methylsulfanyl-benzoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(3-fluorophenyl)-4-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(3-fluorophenyl)-4-methylsulfanylbenzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(3-fluorophenyl)-4-(methylthio)benzoyl]piperazino]-1-pyrrolidino-ethanone Formula: C24H28FN3O2S MolecularWeight: 441.561423

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCC3)C4=CC(=CC=C4)F

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H28FN3O2S/c1-31-20-7-8-21(22(16-20)18-5-4-6-19(25)15-18)24(30)28-13-11-26(12-14-28)17-23(29)27-9-2-3-10-27/h4-8,15-16H,2-3,9-14,17H2,1H3