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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-19(2)18-32-26(31)29-13-11-28(12-14-29)22-9-7-20(8-10-22)23-17-21-5-3-4-6-24(21)27-25(23)33-16-15-30/h3-10,15,17,19H,11-14,16,18H2,1-2H3