3-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine-2,5-dione

Systemtic Name: 3-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine-2,5-dione Openeye Name: 3-(hydroxymethyl)-6-[1-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-ethyl]piperazine-2,5-dione CAS Name: 3-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylthio]propan-2-yl]piperazine-2,5-dione IUPAC Name: 3-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine-2,5-dione Traditional Name: 3-methylol-6-[1-methyl-1-(p-anisylthio)ethyl]piperazine-2,5-quinone Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C(=O)NC(C(=O)N1)CO)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C1C(=O)NC(C(=O)N1)CO)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O4S/c1-16(2,13-15(21)17-12(8-19)14(20)18-13)23-9-10-4-6-11(22-3)7-5-10/h4-7,12-13,19H,8-9H2,1-3H3,(H,17,21)(H,18,20)