2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-methyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-methyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C20H23BrN2OS/c1-12-22-16-3-2-15(5-17(16)25-12)23-18(24)10-19-6-13-4-14(7-19)9-20(21,8-13)11-19/h2-3,5,13-14H,4,6-11H2,1H3,(H,23,24)/t13-,14+,19?,20?