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

Systemtic Name: 6-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H21N3O4S/c1-2-3-10-25-21(28)15-6-4-5-7-16(15)24-22(25)30-13-18(26)14-8-9-19-17(11-14)23-20(27)12-29-19/h4-9,11H,2-3,10,12-13H2,1H3,(H,23,27)