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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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