3-bromanyl-N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: 3-bromanyl-N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: 3-bromo-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: 3-bromo-N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: 3-bromo-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: 3-bromo-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C21H22BrFN2O2S MolecularWeight: 465.378983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)F

InChI

InChI=1S/C21H22BrFN2O2S/c1-27-17-3-2-14(5-15(17)23)16-10-28-19(24-16)25-18(26)20-6-12-4-13(7-20)9-21(22,8-12)11-20/h2-3,5,10,12-13H,4,6-9,11H2,1H3,(H,24,25,26)