2-(3-bromanyl-1-adamantyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H25BrN2O2S/c1-27-17-4-2-16(3-5-17)18-12-28-20(24-18)25-19(26)11-21-7-14-6-15(8-21)10-22(23,9-14)13-21/h2-5,12,14-15H,6-11,13H2,1H3,(H,24,25,26)