1-[2-[[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-[2-[[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-[2-[[2-(2-thienylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]-3-pyridyl]-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[2-[[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-[2-[[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[2-[[2-(2-thenyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]-3-pyridyl]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C27H23F3N4O3S MolecularWeight: 540.55673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)OC3=C(C=CC=N3)NC(=O)NC4=CC=C(C=C4)OC(F)(F)F)CC5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)OC3=C(C=CC=N3)NC(=O)NC4=CC=C(C=C4)OC(F)(F)F)CC5=CC=CS5

InChI

InChI=1S/C27H23F3N4O3S/c28-27(29,30)37-20-10-8-19(9-11-20)32-26(35)33-23-6-2-13-31-25(23)36-24-7-1-4-18-16-34(14-12-22(18)24)17-21-5-3-15-38-21/h1-11,13,15H,12,14,16-17H2,(H2,32,33,35)