3-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(p-tolylsulfanyl)ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[(4-methylphenyl)thio]ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(p-tolylthio)ethyl]piperazino]propionic acid Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C16H24N2O2S/c1-14-2-4-15(5-3-14)21-13-12-18-10-8-17(9-11-18)7-6-16(19)20/h2-5H,6-13H2,1H3,(H,19,20)