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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4C(=O)N3C(C)C

InChI

InChI=1S/C22H21N3O4S/c1-12(2)25-21(28)15-6-4-5-7-16(15)24-22(25)30-13(3)20(27)14-8-9-18-17(10-14)23-19(26)11-29-18/h4-10,12-13H,11H2,1-3H3,(H,23,26)/t13-/m1/s1