2-(6-iodanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-(6-iodanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-(3-allyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[(6-iodo-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[(3-allyl-6-iodo-4-keto-quinazolin-2-yl)thio]-N-(o-tolyl)acetamide Formula: C20H18IN3O2S MolecularWeight: 491.34529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC=C

InChI

InChI=1S/C20H18IN3O2S/c1-3-10-24-19(26)15-11-14(21)8-9-17(15)23-20(24)27-12-18(25)22-16-7-5-4-6-13(16)2/h3-9,11H,1,10,12H2,2H3,(H,22,25)