2-[2,5-dimethyl-4-[2-(4-methylphenyl)sulfanylphenyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-4-[2-(4-methylphenyl)sulfanylphenyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-[2-(p-tolylsulfanyl)phenyl]piperazin-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-4-[2-[(4-methylphenyl)thio]phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-[2-(4-methylphenyl)sulfanylphenyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-4-[2-(p-tolylthio)phenyl]piperazino]acetic acid Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=CC=CC=C2SC3=CC=C(C=C3)C)C)CC(=O)O

Isomeric SMILES

CC1CN(C(CN1C2=CC=CC=C2SC3=CC=C(C=C3)C)C)CC(=O)O

InChI

InChI=1S/C21H26N2O2S/c1-15-8-10-18(11-9-15)26-20-7-5-4-6-19(20)23-13-16(2)22(12-17(23)3)14-21(24)25/h4-11,16-17H,12-14H2,1-3H3,(H,24,25)