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

Systemtic Name: 4-(2-methylsulfanylethanoyl)-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(2-methylsulfanylacetyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[2-(methylthio)-1-oxoethyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(2-methylsulfanylacetyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[2-(methylthio)acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CC(CN(C(=O)C1)CC2=CC=CC=C2)OCC3=CC=CC=N3

Isomeric SMILES

CSCC(=O)N1CC(CN(C(=O)C1)CC2=CC=CC=C2)OCC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O3S/c1-28-16-21(26)24-13-19(27-15-18-9-5-6-10-22-18)12-23(20(25)14-24)11-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3