4-methyl-1-[2-(phenylcarbonylsulfanyl)ethanoyl]piperazine-2-carboxylic acid

Systemtic Name: 4-methyl-1-[2-(phenylcarbonylsulfanyl)ethanoyl]piperazine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanylacetyl)-4-methyl-piperazine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-1-oxoethyl]-4-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanylacetyl)-4-methylpiperazine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)acetyl]-4-methyl-piperazine-2-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)O)C(=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1CCN(C(C1)C(=O)O)C(=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O4S/c1-16-7-8-17(12(9-16)14(19)20)13(18)10-22-15(21)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,19,20)