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

Systemtic Name: 6-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

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