3,3-dimethyl-4-(2-quinolin-2-ylsulfanylethanoyl)-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-(2-quinolin-2-ylsulfanylethanoyl)-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(2-quinolylsulfanyl)acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-(2-quinolinylthio)ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-(2-quinolin-2-ylsulfanylacetyl)-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(2-quinolylthio)acetyl]-1H-quinoxalin-2-one Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H19N3O2S/c1-21(2)20(26)23-16-9-5-6-10-17(16)24(21)19(25)13-27-18-12-11-14-7-3-4-8-15(14)22-18/h3-12H,13H2,1-2H3,(H,23,26)