4-(4-methylsulfanylphenyl)carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(4-methylsulfanylphenyl)carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(4-methylsulfanylbenzoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[[4-(methylthio)phenyl]-oxomethyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(4-methylsulfanylbenzoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[4-(methylthio)benzoyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-33-24-11-9-22(10-12-24)26(31)29-17-23(32-19-21-8-5-13-27-14-21)16-28(25(30)18-29)15-20-6-3-2-4-7-20/h2-14,23H,15-19H2,1H3