(phenylmethyl) 4-(2-pentylsulfanylethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-pentylsulfanylethyl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-pentylsulfanylethyl)piperazine-1-carboxylate CAS Name: 4-[2-(pentylthio)ethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-pentylsulfanylethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(amylthio)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCN1CCN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCSCCN1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O2S/c1-2-3-7-15-24-16-14-20-10-12-21(13-11-20)19(22)23-17-18-8-5-4-6-9-18/h4-6,8-9H,2-3,7,10-17H2,1H3