4-[(3,5,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one

Systemtic Name: 4-[(3,5,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[(3,5,8-trimethyl-2-quinolyl)sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[(3,5,8-trimethyl-2-quinolinyl)thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[(3,5,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[(3,5,8-trimethyl-2-quinolyl)thio]methyl]carbostyril Formula: C22H20N2OS MolecularWeight: 360.472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC3=CC(=O)NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC3=CC(=O)NC4=CC=CC=C43)C

InChI

InChI=1S/C22H20N2OS/c1-13-8-9-14(2)21-18(13)10-15(3)22(24-21)26-12-16-11-20(25)23-19-7-5-4-6-17(16)19/h4-11H,12H2,1-3H3,(H,23,25)