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

Systemtic Name: 2-[2,5-dimethyl-4-(2-phenylsulfanylphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-(2-phenylsulfanylphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-4-[2-(phenylthio)phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-(2-phenylsulfanylphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-4-[2-(phenylthio)phenyl]piperazino]acetic acid Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-15-13-22(16(2)12-21(15)14-20(23)24)18-10-6-7-11-19(18)25-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,24)