4-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[1-oxo-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]ethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C21H19F3N4O2S MolecularWeight: 448.46137

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H19F3N4O2S/c1-2-9-27-17-10-13(21(22,23)24)7-8-15(17)26-20(27)31-12-19(30)28-11-18(29)25-14-5-3-4-6-16(14)28/h3-8,10H,2,9,11-12H2,1H3,(H,25,29)