ethyl 4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-thienylmethylsulfanyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(3-thiophenylmethylthio)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-thenylthio)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CSC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CSC=C3

InChI

InChI=1S/C19H22N2O3S2/c1-2-24-19(23)21-10-8-20(9-11-21)18(22)16-5-3-4-6-17(16)26-14-15-7-12-25-13-15/h3-7,12-13H,2,8-11,14H2,1H3