4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methyl-piperazine-1-carboxylic acid Openeye Name: 4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methyl-piperazine-1-carboxylic acid CAS Name: 4-[2-[(4-tert-butylphenyl)thio]phenyl]-2-methyl-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methylpiperazine-1-carboxylic acid Traditional Name: 4-[2-[(4-tert-butylphenyl)thio]phenyl]-2-methyl-piperazine-1-carboxylic acid Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)O)C2=CC=CC=C2SC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)O)C2=CC=CC=C2SC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N2O2S/c1-16-15-23(13-14-24(16)21(25)26)19-7-5-6-8-20(19)27-18-11-9-17(10-12-18)22(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,25,26)