N-(2-bromanyl-4,5-dimethyl-phenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O2S/c1-15-12-19(25)21(13-16(15)2)26-22(29)14-31-24-27-20-11-7-6-10-18(20)23(30)28(24)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,26,29)