N-(4-bromanyl-2-methyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O2S/c1-3-10-24-19(26)15-6-4-5-7-17(15)23-20(24)27-12-18(25)22-16-9-8-14(21)11-13(16)2/h3-9,11H,1,10,12H2,2H3,(H,22,25)