6-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C25H19N3O4S/c1-15-6-2-5-9-20(15)28-24(31)17-7-3-4-8-18(17)27-25(28)33-14-21(29)16-10-11-22-19(12-16)26-23(30)13-32-22/h2-12H,13-14H2,1H3,(H,26,30)