N-[4-[7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-5-(2-methylpropanoyl)-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]phenyl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[4-[7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-5-(2-methylpropanoyl)-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]phenyl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)-4-oxo-thieno[2,3-b]pyridin-2-yl]phenyl]-2,2,2-trifluoro-acetamide CAS Name: N-[4-[7-[(2,6-difluorophenyl)methyl]-5-(2-methyl-1-oxopropyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-2-thieno[2,3-b]pyridinyl]phenyl]-2,2,2-trifluoroacetamide IUPAC Name: N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)-4-oxothieno[2,3-b]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide Traditional Name: N-[4-[3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-5-isobutyryl-4-keto-thieno[2,3-b]pyridin-2-yl]phenyl]-2,2,2-trifluoro-acetamide Formula: C35H30F5N3O3S MolecularWeight: 667.688016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)NC(=O)C(F)(F)F)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F

Isomeric SMILES

CC(C)C(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)NC(=O)C(F)(F)F)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F

InChI

InChI=1S/C35H30F5N3O3S/c1-20(2)30(44)26-19-43(18-24-27(36)10-7-11-28(24)37)33-29(31(26)45)25(17-42(3)16-21-8-5-4-6-9-21)32(47-33)22-12-14-23(15-13-22)41-34(46)35(38,39)40/h4-15,19-20H,16-18H2,1-3H3,(H,41,46)