1-adamantyl-[4-azanyl-2-[[3-(trifluoromethyl)phenyl]amino]-1,3-thiazol-5-yl]methanone

Systemtic Name: 1-adamantyl-[4-azanyl-2-[[3-(trifluoromethyl)phenyl]amino]-1,3-thiazol-5-yl]methanone Openeye Name: 1-adamantyl-[4-amino-2-[3-(trifluoromethyl)anilino]thiazol-5-yl]methanone CAS Name: 1-adamantyl-[4-amino-2-[3-(trifluoromethyl)anilino]-5-thiazolyl]methanone IUPAC Name: 1-adamantyl-[4-amino-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone Traditional Name: 1-adamantyl-[4-amino-2-[3-(trifluoromethyl)anilino]thiazol-5-yl]methanone Formula: C21H22F3N3OS MolecularWeight: 421.47909

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(N=C(S4)NC5=CC=CC(=C5)C(F)(F)F)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(N=C(S4)NC5=CC=CC(=C5)C(F)(F)F)N

InChI

InChI=1S/C21H22F3N3OS/c22-21(23,24)14-2-1-3-15(7-14)26-19-27-18(25)16(29-19)17(28)20-8-11-4-12(9-20)6-13(5-11)10-20/h1-3,7,11-13H,4-6,8-10,25H2,(H,26,27)