1-[2,4-bis(fluoranyl)phenyl]-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(2,4-difluorophenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(2,4-difluorophenyl)-3-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(2,4-difluorophenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(2,4-difluorophenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C22H15F2N5OS MolecularWeight: 435.449206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=S)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=S)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H15F2N5OS/c23-14-5-6-19(17(24)11-14)27-22(31)29-28-21(30)16-12-20(13-7-9-25-10-8-13)26-18-4-2-1-3-15(16)18/h1-12H,(H,28,30)(H2,27,29,31)