6-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C23H22ClN3O4S/c1-13(2)7-8-27-22(30)16-5-4-15(24)10-17(16)26-23(27)32-12-19(28)14-3-6-20-18(9-14)25-21(29)11-31-20/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,25,29)