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

Systemtic Name: 4-(3-methylsulfanylpropanoyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(3-methylsulfanylpropanoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[3-(methylthio)-1-oxopropyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(3-methylsulfanylpropanoyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[3-(methylthio)propanoyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC(CN(C(=O)C1)CC2=CN=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CC(CN(C(=O)C1)CC2=CN=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-29-11-9-21(26)25-15-20(28-17-18-6-3-2-4-7-18)14-24(22(27)16-25)13-19-8-5-10-23-12-19/h2-8,10,12,20H,9,11,13-17H2,1H3