6-methyl-2-phenethyl-1-(pyridin-2-ylmethyl)-3-thiomorpholin-4-ylcarbonyl-pyridin-4-one

Systemtic Name: 6-methyl-2-phenethyl-1-(pyridin-2-ylmethyl)-3-thiomorpholin-4-ylcarbonyl-pyridin-4-one Openeye Name: 6-methyl-2-phenethyl-1-(2-pyridylmethyl)-3-(thiomorpholine-4-carbonyl)pyridin-4-one CAS Name: 6-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-2-phenethyl-1-(2-pyridinylmethyl)-4-pyridinone IUPAC Name: 6-methyl-2-phenethyl-1-(pyridin-2-ylmethyl)-3-(thiomorpholine-4-carbonyl)pyridin-4-one Traditional Name: 6-methyl-2-phenethyl-1-(2-pyridylmethyl)-3-(thiomorpholine-4-carbonyl)-4-pyridone Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)N4CCSCC4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)N4CCSCC4

InChI

InChI=1S/C25H27N3O2S/c1-19-17-23(29)24(25(30)27-13-15-31-16-14-27)22(11-10-20-7-3-2-4-8-20)28(19)18-21-9-5-6-12-26-21/h2-9,12,17H,10-11,13-16,18H2,1H3