1-[(4-fluorophenyl)methyl]-3-methyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-methyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3-methyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3-methyl-6-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-methyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: 1-(4-fluorobenzyl)-3-methyl-6-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C15H19FN2O2S MolecularWeight: 310.386963

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(C(=O)N1)CCSC)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1C(=O)N(C(C(=O)N1)CCSC)CC2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FN2O2S/c1-10-15(20)18(9-11-3-5-12(16)6-4-11)13(7-8-21-2)14(19)17-10/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)