(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-methylsulfanylphenoxy)pyridin-3-yl]methanone

Systemtic Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-methylsulfanylphenoxy)pyridin-3-yl]methanone Openeye Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-methylsulfanylphenoxy)-3-pyridyl]methanone CAS Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-[4-(methylthio)phenoxy]-3-pyridinyl]methanone IUPAC Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-methylsulfanylphenoxy)pyridin-3-yl]methanone Traditional Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-[4-(methylthio)phenoxy]-3-pyridyl]methanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4

InChI

InChI=1S/C22H27N3O2S/c1-28-20-9-7-19(8-10-20)27-21-11-6-17(16-23-21)22(26)25-13-3-12-24(14-15-25)18-4-2-5-18/h6-11,16,18H,2-5,12-15H2,1H3