2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-chlorobenzyl)acetamide Formula: C20H19BrClN3O3S MolecularWeight: 496.80516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H19BrClN3O3S/c1-12(26)10-25-19(28)16-8-14(21)4-7-17(16)24-20(25)29-11-18(27)23-9-13-2-5-15(22)6-3-13/h2-8,12,26H,9-11H2,1H3,(H,23,27)