N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C35H27F3N4O6S MolecularWeight: 688.67229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)NC(=O)CSC4=NC5=C(CCC6=CC=CC=C65)C(=N4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)NC(=O)CSC4=NC5=C(CCC6=CC=CC=C65)C(=N4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C35H27F3N4O6S/c1-2-46-24-12-14-26(15-13-24)48-28-18-23(42(44)45)17-27(19-28)47-25-10-8-22(9-11-25)39-31(43)20-49-34-40-32-29-6-4-3-5-21(29)7-16-30(32)33(41-34)35(36,37)38/h3-6,8-15,17-19H,2,7,16,20H2,1H3,(H,39,43)