N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H21N3O2S2/c1-28-19-6-3-15(4-7-19)16-5-8-20-17(11-16)12-18(27-20)13-25-21(26)14-29-22-23-9-2-10-24-22/h2-11,18H,12-14H2,1H3,(H,25,26)