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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C22H15ClFN5OS MolecularWeight: 451.903803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClFN5OS/c23-17-11-14(5-6-18(17)24)26-22(31)29-28-21(30)16-12-20(13-7-9-25-10-8-13)27-19-4-2-1-3-15(16)19/h1-12H,(H,28,30)(H2,26,29,31)