2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(6-morpholin-4-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(6-morpholin-4-ylpyridin-3-yl)ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-(6-morpholino-3-pyridyl)acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[6-(4-morpholinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(6-morpholin-4-ylpyridin-3-yl)acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-(6-morpholino-3-pyridyl)acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O4S/c1-15(25)16-3-5-19(27-2)17(11-16)13-29-14-21(26)23-18-4-6-20(22-12-18)24-7-9-28-10-8-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,26)