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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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