N-(2,6-dimethylphenyl)-2-(4-oxidanylidene-3-propan-2-yloxy-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(4-oxidanylidene-3-propan-2-yloxy-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(3-isopropoxy-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(4-oxo-3-propan-2-yloxy-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(3-isopropoxy-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2OC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2OC(C)C

InChI

InChI=1S/C21H23N3O3S/c1-13(2)27-24-20(26)16-10-5-6-11-17(16)22-21(24)28-12-18(25)23-19-14(3)8-7-9-15(19)4/h5-11,13H,12H2,1-4H3,(H,23,25)