1-tert-butyl-3-[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4OS/c1-21(2,3)24-20(28)26-25-19(27)16-12-18(13-8-10-14(22)11-9-13)23-17-7-5-4-6-15(16)17/h4-12H,1-3H3,(H,25,27)(H2,24,26,28)