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

Systemtic Name: 1-(phenylmethyl)-4-(2-phenylsulfanylethanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(2-phenylsulfanylacetyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[1-oxo-2-(phenylthio)ethyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(2-phenylsulfanylacetyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[2-(phenylthio)acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CSC2=CC=CC=C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CSC2=CC=CC=C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O3S/c30-25-18-29(26(31)20-33-24-12-5-2-6-13-24)17-23(32-19-22-11-7-8-14-27-22)16-28(25)15-21-9-3-1-4-10-21/h1-14,23H,15-20H2