4-[2-(4-methoxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4-methoxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazine-1-carboxylic acid Openeye Name: 4-[2-(4-methoxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazine-1-carboxylic acid CAS Name: 4-[2-[(4-methoxyphenyl)thio]phenyl]-2,5-dimethyl-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4-methoxyphenyl)sulfanylphenyl]-2,5-dimethylpiperazine-1-carboxylic acid Traditional Name: 4-[2-[(4-methoxyphenyl)thio]phenyl]-2,5-dimethyl-piperazine-1-carboxylic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)O)C)C2=CC=CC=C2SC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CN(C(CN1C(=O)O)C)C2=CC=CC=C2SC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O3S/c1-14-13-22(20(23)24)15(2)12-21(14)18-6-4-5-7-19(18)26-17-10-8-16(25-3)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,23,24)