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

Systemtic Name: ethyl 4-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(thiazol-4-ylmethylsulfanyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(4-thiazolylmethylthio)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(thiazol-4-ylmethylthio)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C18H21N3O3S2/c1-2-24-18(23)21-9-7-20(8-10-21)17(22)15-5-3-4-6-16(15)26-12-14-11-25-13-19-14/h3-6,11,13H,2,7-10,12H2,1H3