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

Systemtic Name: N-[4-[7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-5-(oxan-4-ylcarbothioyl)-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-4-oxo-5-(tetrahydropyran-4-carbothioyl)thieno[2,3-b]pyridin-2-yl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[7-[(2,6-difluorophenyl)methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-5-[4-oxanyl(sulfanylidene)methyl]-4-oxo-2-thieno[2,3-b]pyridinyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(oxane-4-carbothioyl)-4-oxothieno[2,3-b]pyridin-2-yl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-4-keto-5-(tetrahydropyran-4-carbothioyl)thieno[2,3-b]pyridin-2-yl]phenyl]-2-methyl-propionamide Formula: C39H39F2N3O3S2 MolecularWeight: 699.872066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=S)C4CCOCC4)CC5=C(C=CC=C5F)F)CN(C)CC6=CC=CC=C6

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=S)C4CCOCC4)CC5=C(C=CC=C5F)F)CN(C)CC6=CC=CC=C6

InChI

InChI=1S/C39H39F2N3O3S2/c1-24(2)38(46)42-28-14-12-27(13-15-28)37-30(21-43(3)20-25-8-5-4-6-9-25)34-35(45)31(36(48)26-16-18-47-19-17-26)23-44(39(34)49-37)22-29-32(40)10-7-11-33(29)41/h4-15,23-24,26H,16-22H2,1-3H3,(H,42,46)