4-[(3,8-dimethylquinolin-2-yl)-sulfanyl-methyl]-1H-quinolin-2-one

Systemtic Name: 4-[(3,8-dimethylquinolin-2-yl)-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[(3,8-dimethyl-2-quinolyl)-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[(3,8-dimethyl-2-quinolinyl)-mercaptomethyl]-1H-quinolin-2-one IUPAC Name: 4-[(3,8-dimethylquinolin-2-yl)-sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[(3,8-dimethyl-2-quinolyl)-mercapto-methyl]carbostyril Formula: C21H18N2OS MolecularWeight: 346.44542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C(C3=CC(=O)NC4=CC=CC=C43)S)C

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C(C3=CC(=O)NC4=CC=CC=C43)S)C

InChI

InChI=1S/C21H18N2OS/c1-12-6-5-7-14-10-13(2)20(23-19(12)14)21(25)16-11-18(24)22-17-9-4-3-8-15(16)17/h3-11,21,25H,1-2H3,(H,22,24)