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

Systemtic Name: tert-butyl 4-[2-[2-(2-oxidanylideneethylsulfanyl)-3-phenyl-quinolin-4-yl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(2-oxoethylsulfanyl)-3-phenyl-4-quinolyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-(2-oxoethylthio)-3-phenyl-4-quinolinyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(2-oxoethylsulfanyl)-3-phenylquinolin-4-yl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(2-ketoethylthio)-3-phenyl-4-quinolyl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O3S MolecularWeight: 491.64492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=C(C(=NC3=CC=CC=C32)SCC=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=C(C(=NC3=CC=CC=C32)SCC=O)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-28(2,3)34-27(33)31-17-15-30(16-18-31)14-13-23-22-11-7-8-12-24(22)29-26(35-20-19-32)25(23)21-9-5-4-6-10-21/h4-12,19H,13-18,20H2,1-3H3