1-(4-bromophenyl)-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]ethanone Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C24H20BrN3O3S/c1-30-18-11-17(12-19(13-18)31-2)26-23-20-5-3-4-6-21(20)27-24(28-23)32-14-22(29)15-7-9-16(25)10-8-15/h3-13H,14H2,1-2H3,(H,26,27,28)