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

Systemtic Name: ethyl 4-[2-(2-phenylsulfanylethanoylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-phenylsulfanylacetyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-phenylsulfanylacetyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(phenylthio)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-2-29-22(28)25-14-12-24(13-15-25)21(27)18-10-6-7-11-19(18)23-20(26)16-30-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26)