phenyl 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[4-[2-(2-oxoethylsulfanyl)-3-quinolyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(2-oxoethylthio)-3-quinolinyl]phenyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[4-[2-(2-oxoethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(2-ketoethylthio)-3-quinolyl]phenyl]piperazine-1-carboxylic acid phenyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3S/c32-18-19-35-27-25(20-22-6-4-5-9-26(22)29-27)21-10-12-23(13-11-21)30-14-16-31(17-15-30)28(33)34-24-7-2-1-3-8-24/h1-13,18,20H,14-17,19H2