N-[[2-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide

Systemtic Name: N-[[2-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide Openeye Name: N-[[2-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridyl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide CAS Name: N-[[2-fluoro-4-[[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-7-thieno[3,2-b]pyridinyl]oxy]anilino]-sulfanylidenemethyl]-2-(4-fluorophenyl)acetamide IUPAC Name: N-[[2-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide Traditional Name: N-[[2-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridyl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]thiocarbamoyl]-2-(4-fluorophenyl)acetamide Formula: C31H27F2N5O3S2 MolecularWeight: 619.704586

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=CC(=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F

Isomeric SMILES

COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=CC(=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F

InChI

InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-25(36-18-20)28-16-26-30(43-28)27(10-11-35-26)41-22-7-9-24(23(33)15-22)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)