3,3-dimethyl-4-[2-(1H-perimidin-2-ylsulfanyl)ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(1H-perimidin-2-ylsulfanyl)ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(1H-perimidin-2-ylsulfanyl)acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-(1H-perimidin-2-ylthio)ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1H-perimidin-2-ylsulfanyl)acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(1H-perimidin-2-ylthio)acetyl]-1H-quinoxalin-2-one Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3)C

InChI

InChI=1S/C23H20N4O2S/c1-23(2)21(29)24-15-9-3-4-12-18(15)27(23)19(28)13-30-22-25-16-10-5-7-14-8-6-11-17(26-22)20(14)16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26)