N-(4-bromanyl-3-methyl-phenyl)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H22BrN3O2S MolecularWeight: 508.43008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Br)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Br)C)C

InChI

InChI=1S/C25H22BrN3O2S/c1-15-8-11-22(17(3)12-15)29-24(31)19-6-4-5-7-21(19)28-25(29)32-14-23(30)27-18-9-10-20(26)16(2)13-18/h4-13H,14H2,1-3H3,(H,27,30)