N-(4,6-dimethyl-2-morpholin-4-ylcarbonyl-thieno[2,3-b]pyridin-3-yl)-4-(2-phenylethynyl)benzamide

Systemtic Name: N-(4,6-dimethyl-2-morpholin-4-ylcarbonyl-thieno[2,3-b]pyridin-3-yl)-4-(2-phenylethynyl)benzamide Openeye Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-(2-phenylethynyl)benzamide CAS Name: N-[4,6-dimethyl-2-[4-morpholinyl(oxo)methyl]-3-thieno[2,3-b]pyridinyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-(2-phenylethynyl)benzamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5)C

InChI

InChI=1S/C29H25N3O3S/c1-19-18-20(2)30-28-24(19)25(26(36-28)29(34)32-14-16-35-17-15-32)31-27(33)23-12-10-22(11-13-23)9-8-21-6-4-3-5-7-21/h3-7,10-13,18H,14-17H2,1-2H3,(H,31,33)