2,2-dimethyl-N-[4-[3-(2-oxidanylideneethylsulfanyl)quinolin-2-yl]phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-[3-(2-oxidanylideneethylsulfanyl)quinolin-2-yl]phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[4-[3-(2-oxoethylsulfanyl)-2-quinolyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[4-[3-(2-oxoethylthio)-2-quinolinyl]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-[3-(2-oxoethylsulfanyl)quinolin-2-yl]phenyl]propanamide Traditional Name: N-[4-[3-(2-ketoethylthio)-2-quinolyl]phenyl]-2,2-dimethyl-propionamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SCC=O

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SCC=O

InChI

InChI=1S/C22H22N2O2S/c1-22(2,3)21(26)23-17-10-8-15(9-11-17)20-19(27-13-12-25)14-16-6-4-5-7-18(16)24-20/h4-12,14H,13H2,1-3H3,(H,23,26)