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

Systemtic Name: 6-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C24H25N3O4S/c1-14(2)10-11-27-23(30)17-6-4-5-7-18(17)26-24(27)32-15(3)22(29)16-8-9-20-19(12-16)25-21(28)13-31-20/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,25,28)