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

Systemtic Name: 2-[6-iodanyl-3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[6-iodo-3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[6-iodo-3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[6-iodo-3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[6-iodo-4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C21H20IN3O2S MolecularWeight: 505.37187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20IN3O2S/c1-13(2)11-25-20(27)17-10-15(22)6-9-18(17)24-21(25)28-12-19(26)23-16-7-4-14(3)5-8-16/h4-10H,1,11-12H2,2-3H3,(H,23,26)