ethyl 4-[2-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-benzylsulfanylacetyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-benzylsulfanylacetyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(benzylthio)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-2-30-23(29)26-14-12-25(13-15-26)22(28)19-10-6-7-11-20(19)24-21(27)17-31-16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,24,27)