4-(3-methylsulfanylpropanoyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(3-methylsulfanylpropanoyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(3-methylsulfanylpropanoyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[3-(methylthio)-1-oxopropyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(3-methylsulfanylpropanoyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[3-(methylthio)propanoyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC(CN(C(=O)C1)CC2CCOCC2)OCC3=CC=NC=C3

Isomeric SMILES

CSCCC(=O)N1CC(CN(C(=O)C1)CC2CCOCC2)OCC3=CC=NC=C3

InChI

InChI=1S/C21H31N3O4S/c1-29-11-6-20(25)24-14-19(28-16-18-2-7-22-8-3-18)13-23(21(26)15-24)12-17-4-9-27-10-5-17/h2-3,7-8,17,19H,4-6,9-16H2,1H3