N-[4-[2-[3-(dimethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoranyl-phenyl]-N'-(2-fluorophenyl)propanediamide

Systemtic Name: N-[4-[2-[3-(dimethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoranyl-phenyl]-N'-(2-fluorophenyl)propanediamide Openeye Name: N-[4-[2-[3-(dimethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-phenyl]-N'-(2-fluorophenyl)propanediamide CAS Name: N-[4-[[2-[3-(dimethylamino)prop-1-ynyl]-7-thieno[3,2-b]pyridinyl]oxy]-3-fluorophenyl]-N'-(2-fluorophenyl)propanediamide IUPAC Name: N-[4-[2-[3-(dimethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N'-(2-fluorophenyl)propanediamide Traditional Name: N-[4-[2-[3-(dimethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-phenyl]-N'-(2-fluorophenyl)malonamide Formula: C27H22F2N4O3S MolecularWeight: 520.550386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)NC(=O)CC(=O)NC4=CC=CC=C4F)F

Isomeric SMILES

CN(C)CC#CC1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)NC(=O)CC(=O)NC4=CC=CC=C4F)F

InChI

InChI=1S/C27H22F2N4O3S/c1-33(2)13-5-6-18-15-22-27(37-18)24(11-12-30-22)36-23-10-9-17(14-20(23)29)31-25(34)16-26(35)32-21-8-4-3-7-19(21)28/h3-4,7-12,14-15H,13,16H2,1-2H3,(H,31,34)(H,32,35)