1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one Openeye Name: 6-(3-pyridylmethoxy)-4-[2-(2-pyridylsulfanyl)acetyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[1-oxo-2-(2-pyridinylthio)ethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(2-pyridin-2-ylsulfanylacetyl)-1,4-diazepan-2-one Traditional Name: 6-(3-pyridylmethoxy)-4-[2-(2-pyridylthio)acetyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CSC3=CC=CC=N3)OCC4=CN=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CSC3=CC=CC=N3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H30N4O4S/c29-23-16-28(24(30)18-33-22-5-1-2-9-26-22)15-21(32-17-20-4-3-8-25-12-20)14-27(23)13-19-6-10-31-11-7-19/h1-5,8-9,12,19,21H,6-7,10-11,13-18H2