ethyl 4-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(p-tolylsulfanylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(p-tolylthio)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O3S/c1-3-27-22(26)24-14-12-23(13-15-24)21(25)19-8-6-18(7-9-19)16-28-20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3