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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dichlorophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]acetamide Formula: C21H21BrCl2N2OS MolecularWeight: 500.27924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H21BrCl2N2OS/c22-21-7-12-3-13(8-21)6-20(5-12,11-21)9-18(27)26-19-25-17(10-28-19)14-1-2-15(23)16(24)4-14/h1-2,4,10,12-13H,3,5-9,11H2,(H,25,26,27)