ethyl 4-[2-(4-methylphenyl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methylphenyl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(p-tolylsulfanyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methylphenyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylphenyl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(p-tolylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N2O3S/c1-3-21-16(20)18-10-8-17(9-11-18)15(19)12-22-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3