N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

InChI=1S/C21H21N3O2S/c1-4-9-24-20(26)17-7-5-6-8-18(17)23-21(24)27-13-19(25)22-16-11-14(2)10-15(3)12-16/h4-8,10-12H,1,9,13H2,2-3H3,(H,22,25)