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

Systemtic Name: 6-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

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