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

Systemtic Name: 6-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4S/c1-3-25-20(28)14-9-13(22)5-6-15(14)24-21(25)30-11(2)19(27)12-4-7-17-16(8-12)23-18(26)10-29-17/h4-9,11H,3,10H2,1-2H3,(H,23,26)