1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(4-pyridylmethoxy)-4-[2-(2-pyridylsulfanyl)acetyl]-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[1-oxo-2-(2-pyridinylthio)ethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(2-pyridin-2-ylsulfanylacetyl)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(4-pyridylmethoxy)-4-[2-(2-pyridylthio)acetyl]-1,4-diazepan-2-one Formula: C26H28N4O4S MolecularWeight: 492.58992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CSC3=CC=CC=N3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CSC3=CC=CC=N3)OCC4=CC=NC=C4

InChI

InChI=1S/C26H28N4O4S/c1-33-22-7-5-20(6-8-22)14-29-15-23(34-18-21-9-12-27-13-10-21)16-30(17-25(29)31)26(32)19-35-24-4-2-3-11-28-24/h2-13,23H,14-19H2,1H3