1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[2-(2-pyridylsulfanyl)acetyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-2-(2-pyridinylthio)ethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(2-pyridin-2-ylsulfanylacetyl)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[2-(2-pyridylthio)acetyl]-1,4-diazepan-2-one Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CSC3=CC=CC=N3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CSC3=CC=CC=N3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H30N4O3S/c29-23-16-27(24(30)18-32-22-10-4-5-12-26-22)14-21(31-17-19-7-6-11-25-13-19)15-28(23)20-8-2-1-3-9-20/h4-7,10-13,20-21H,1-3,8-9,14-18H2