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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC=C

InChI

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