N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-hydroxy-3,5-dimethyl-benzyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H21N3O3S/c1-12-8-14(9-13(2)18(12)25)10-21-17(24)11-27-20-22-16-7-5-4-6-15(16)19(26)23(20)3/h4-9,25H,10-11H2,1-3H3,(H,21,24)