6-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(2-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[1-(2-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-o-cumenylimidazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H21N3O3S/c1-14(2)16-5-3-4-6-18(16)25-10-9-23-22(25)29-13-19(26)15-7-8-20-17(11-15)24-21(27)12-28-20/h3-11,14H,12-13H2,1-2H3,(H,24,27)