N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromanyl-1-adamantyl)-N-methyl-ethanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromanyl-1-adamantyl)-N-methyl-ethanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)-N-methyl-acetamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)-N-methylacetamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)-N-methylacetamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)-N-methyl-acetamide Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H27BrN2OS/c1-14(20-24-17-5-3-4-6-18(17)27-20)25(2)19(26)12-21-8-15-7-16(9-21)11-22(23,10-15)13-21/h3-6,14-16H,7-13H2,1-2H3