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

Systemtic Name: ethyl 4-[2-(3-phenylsulfanylpropanoylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-phenylsulfanylpropanoylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[[1-oxo-3-(phenylthio)propyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-phenylsulfanylpropanoylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(phenylthio)propanoylamino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=CC=CC=C3

InChI

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