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

Systemtic Name: 2-[6-iodanyl-3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[6-iodo-3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[6-iodo-3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[6-iodo-3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[6-iodo-4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C21H20IN3O3S MolecularWeight: 521.37127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H20IN3O3S/c1-13(2)11-25-20(27)17-9-14(22)7-8-18(17)24-21(25)29-12-19(26)23-15-5-4-6-16(10-15)28-3/h4-10H,1,11-12H2,2-3H3,(H,23,26)