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

Systemtic Name: 1-(4-bromophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-(homoveratrylamino)quinazolin-2-yl]thio]ethanone Formula: C26H24BrN3O3S MolecularWeight: 538.45606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C26H24BrN3O3S/c1-32-23-12-7-17(15-24(23)33-2)13-14-28-25-20-5-3-4-6-21(20)29-26(30-25)34-16-22(31)18-8-10-19(27)11-9-18/h3-12,15H,13-14,16H2,1-2H3,(H,28,29,30)