3,3-dimethyl-4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(4-methyl-2-quinolyl)thio]acetyl]-1H-quinoxalin-2-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

InChI

InChI=1S/C22H21N3O2S/c1-14-12-19(23-16-9-5-4-8-15(14)16)28-13-20(26)25-18-11-7-6-10-17(18)24-21(27)22(25,2)3/h4-12H,13H2,1-3H3,(H,24,27)