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

Systemtic Name: tert-butyl 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(2-oxoethylsulfanyl)-3-quinolyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(2-oxoethylthio)-3-quinolinyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C26H29N3O3S/c1-26(2,3)32-25(31)29-14-12-28(13-15-29)21-10-8-19(9-11-21)22-18-20-6-4-5-7-23(20)27-24(22)33-17-16-30/h4-11,16,18H,12-15,17H2,1-3H3