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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dimethylphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]acetamide Formula: C23H27BrN2OS MolecularWeight: 459.44228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C23H27BrN2OS/c1-14-3-4-18(5-15(14)2)19-12-28-21(25-19)26-20(27)11-22-7-16-6-17(8-22)10-23(24,9-16)13-22/h3-5,12,16-17H,6-11,13H2,1-2H3,(H,25,26,27)