4-[2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[(3-benzyl-2-quinolyl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[1-oxo-2-[[3-(phenylmethyl)-2-quinolinyl]thio]ethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(3-benzylquinolin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(3-benzyl-2-quinolyl)thio]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C=C3CC5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C=C3CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c30-24-16-29(23-13-7-6-12-22(23)27-24)25(31)17-32-26-20(14-18-8-2-1-3-9-18)15-19-10-4-5-11-21(19)28-26/h1-13,15H,14,16-17H2,(H,27,30)