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

Systemtic Name: 1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-(2-pyridylmethoxy)-4-[2-(2-pyridylsulfanyl)acetyl]-1,4-diazepan-2-one CAS Name: 4-[1-oxo-2-(2-pyridinylthio)ethyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-(pyridin-2-ylmethoxy)-4-(2-pyridin-2-ylsulfanylacetyl)-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-(2-pyridylmethoxy)-4-[2-(2-pyridylthio)acetyl]-1,4-diazepan-2-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CSC2=CC=CC=N2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CSC2=CC=CC=N2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O3S/c30-24-17-29(25(31)19-33-23-11-5-7-13-27-23)16-22(32-18-21-10-4-6-12-26-21)15-28(24)14-20-8-2-1-3-9-20/h1-13,22H,14-19H2