1-(1-adamantyl)-3-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[oxo-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]thiourea Formula: C22H24F3N5OS MolecularWeight: 463.51907

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)C4=C(N(N=C4)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)C4=C(N(N=C4)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C22H24F3N5OS/c23-22(24,25)18-17(12-26-30(18)16-4-2-1-3-5-16)19(31)28-29-20(32)27-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,12-15H,6-11H2,(H,28,31)(H2,27,29,32)