1-isoquinolin-5-yl-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[[4-(trifluoromethylthio)phenyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[4-(trifluoromethylthio)benzyl]urea Formula: C18H14F3N3OS MolecularWeight: 377.38347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H14F3N3OS/c19-18(20,21)26-14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)