1-[1-(3-fluoranylphenoxy)-3-methylsulfanyl-propan-2-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[1-(3-fluoranylphenoxy)-3-methylsulfanyl-propan-2-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[1-[(3-fluorophenoxy)methyl]-2-methylsulfanyl-ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[1-(3-fluorophenoxy)-3-(methylthio)propan-2-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[1-(3-fluorophenoxy)-3-methylsulfanylpropan-2-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[1-[(3-fluorophenoxy)methyl]-2-(methylthio)ethyl]-3-(5-isoquinolyl)urea Formula: C20H20FN3O2S MolecularWeight: 385.455103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(COC1=CC(=CC=C1)F)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CSCC(COC1=CC(=CC=C1)F)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H20FN3O2S/c1-27-13-16(12-26-17-6-3-5-15(21)10-17)23-20(25)24-19-7-2-4-14-11-22-9-8-18(14)19/h2-11,16H,12-13H2,1H3,(H2,23,24,25)