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

Systemtic Name: 1-(4-bromophenyl)-2-[4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-(3,4,5-trimethoxyanilino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]thio]ethanone Formula: C25H22BrN3O4S MolecularWeight: 540.42888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3O4S/c1-31-21-12-17(13-22(32-2)23(21)33-3)27-24-18-6-4-5-7-19(18)28-25(29-24)34-14-20(30)15-8-10-16(26)11-9-15/h4-13H,14H2,1-3H3,(H,27,28,29)