6-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5)C

InChI

InChI=1S/C26H21N3O4S/c1-15-9-16(2)11-18(10-15)29-25(32)19-5-3-4-6-20(19)28-26(29)34-14-22(30)17-7-8-23-21(12-17)27-24(31)13-33-23/h3-12H,13-14H2,1-2H3,(H,27,31)