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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6-(2-hydroxyethylsulfanylmethyl)-3-methyl-piperazine-2,5-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-6-(2-hydroxyethylsulfanylmethyl)-3-methyl-piperazine-2,5-dione CAS Name: 1-[(4-fluorophenyl)methyl]-6-[(2-hydroxyethylthio)methyl]-3-methylpiperazine-2,5-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-6-(2-hydroxyethylsulfanylmethyl)-3-methylpiperazine-2,5-dione Traditional Name: 1-(4-fluorobenzyl)-6-[(2-hydroxyethylthio)methyl]-3-methyl-piperazine-2,5-quinone Formula: C15H19FN2O3S MolecularWeight: 326.386363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19FN2O3S/c1-10-15(21)18(8-11-2-4-12(16)5-3-11)13(14(20)17-10)9-22-7-6-19/h2-5,10,13,19H,6-9H2,1H3,(H,17,20)