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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromanyl-1-adamantyl)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-bromo-1-adamantyl)acetamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H25BrN2OS/c22-21-10-14-7-15(11-21)9-20(8-14,13-21)12-18(25)23-6-5-19-24-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,23,25)