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

Systemtic Name: 2-[6-iodanyl-3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diphenyl-ethanamide Openeye Name: 2-[6-iodo-3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diphenyl-acetamide CAS Name: 2-[[6-iodo-3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[6-iodo-3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[[6-iodo-4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]-N,N-diphenyl-acetamide Formula: C26H22IN3O2S MolecularWeight: 567.44125

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22IN3O2S/c1-18(2)16-29-25(32)22-15-19(27)13-14-23(22)28-26(29)33-17-24(31)30(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15H,1,16-17H2,2H3