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

Systemtic Name: 1-(oxan-4-ylmethyl)-4-(2-phenylsulfanylethanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2-phenylsulfanylacetyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[1-oxo-2-(phenylthio)ethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-(2-phenylsulfanylacetyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[2-(phenylthio)acetyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CSC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CSC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H31N3O4S/c29-24-17-28(25(30)19-33-23-4-2-1-3-5-23)16-22(32-18-21-6-10-26-11-7-21)15-27(24)14-20-8-12-31-13-9-20/h1-7,10-11,20,22H,8-9,12-19H2