4-[(4-phenylmethoxyphenyl)methylsulfanylcarbonyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-phenylmethoxyphenyl)methylsulfanylcarbonyl]piperazine-1-carboxylic acid Openeye Name: 4-[(4-benzyloxyphenyl)methylsulfanylcarbonyl]piperazine-1-carboxylic acid CAS Name: 4-[oxo-[(4-phenylmethoxyphenyl)methylthio]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-phenylmethoxyphenyl)methylsulfanylcarbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[(4-benzoxybenzyl)thio]carbonylpiperazine-1-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)O)C(=O)SCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)O)C(=O)SCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c23-19(24)21-10-12-22(13-11-21)20(25)27-15-17-6-8-18(9-7-17)26-14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,24)