1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O2S/c1-31-16-8-6-15(7-9-16)28-10-12-29(13-11-28)19(30)14-32-20-17-4-2-3-5-18(17)26-21(27-20)22(23,24)25/h2-9H,10-14H2,1H3