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

Systemtic Name: 6-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C25H27N3O4S/c1-3-4-5-8-13-28-24(31)18-9-6-7-10-19(18)27-25(28)33-16(2)23(30)17-11-12-21-20(14-17)26-22(29)15-32-21/h6-7,9-12,14,16H,3-5,8,13,15H2,1-2H3,(H,26,29)