ethyl 4-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(phenylthio)anilino]ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-27-21(26)24-14-12-23(13-15-24)16-20(25)22-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)