3-[3-[6-bromanyl-4-(butylamino)pyridin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanyl-urea

Systemtic Name: 3-[3-[6-bromanyl-4-(butylamino)pyridin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanyl-urea Openeye Name: 3-[3-[[6-bromo-4-(butylamino)-2-pyridyl]sulfanyl]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanyl-urea CAS Name: 3-[3-[[6-bromo-4-(butylamino)-2-pyridinyl]thio]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-(methylthio)urea IUPAC Name: 3-[3-[6-bromo-4-(butylamino)pyridin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanylurea Traditional Name: 3-[3-[[6-bromo-4-(butylamino)-2-pyridyl]thio]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-(methylthio)urea Formula: C20H24BrF3N4O2S2 MolecularWeight: 553.45937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=NC(=C1)Br)SC2=CC(=CC(=C2)NC(=O)N(OCC)SC)C(F)(F)F

Isomeric SMILES

CCCCNC1=CC(=NC(=C1)Br)SC2=CC(=CC(=C2)NC(=O)N(OCC)SC)C(F)(F)F

InChI

InChI=1S/C20H24BrF3N4O2S2/c1-4-6-7-25-14-11-17(21)27-18(12-14)32-16-9-13(20(22,23)24)8-15(10-16)26-19(29)28(31-3)30-5-2/h8-12H,4-7H2,1-3H3,(H,25,27)(H,26,29)