4-[2-(4-methylsulfanylphenyl)ethanoyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[2-(4-methylsulfanylphenyl)ethanoyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[2-(4-methylsulfanylphenyl)acetyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[2-[4-(methylthio)phenyl]-1-oxoethyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[2-(4-methylsulfanylphenyl)acetyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[2-[4-(methylthio)phenyl]acetyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CC(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C26H33N3O4S/c1-34-24-6-4-20(5-7-24)13-25(30)29-17-23(33-19-22-3-2-10-27-14-22)16-28(26(31)18-29)15-21-8-11-32-12-9-21/h2-7,10,14,21,23H,8-9,11-13,15-19H2,1H3