1-methyl-6-methylsulfanyl-3-(1-oxidanylbutan-2-yl)-4-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 1-methyl-6-methylsulfanyl-3-(1-oxidanylbutan-2-yl)-4-(phenylmethyl)piperazine-2,5-dione Openeye Name: 1-benzyl-6-[1-(hydroxymethyl)propyl]-4-methyl-3-methylsulfanyl-piperazine-2,5-dione CAS Name: 3-(1-hydroxybutan-2-yl)-1-methyl-6-(methylthio)-4-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 1-benzyl-6-(1-hydroxybutan-2-yl)-4-methyl-3-methylsulfanylpiperazine-2,5-dione Traditional Name: 1-benzyl-4-methyl-6-(1-methylolpropyl)-3-(methylthio)piperazine-2,5-quinone Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)C1C(=O)N(C(C(=O)N1CC2=CC=CC=C2)SC)C

Isomeric SMILES

CCC(CO)C1C(=O)N(C(C(=O)N1CC2=CC=CC=C2)SC)C

InChI

InChI=1S/C17H24N2O3S/c1-4-13(11-20)14-15(21)18(2)17(23-3)16(22)19(14)10-12-8-6-5-7-9-12/h5-9,13-14,17,20H,4,10-11H2,1-3H3