2-(3-bromanyl-1-adamantyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C21H25BrN2OS/c1-12-3-13(2)18-16(4-12)26-19(24-18)23-17(25)10-20-6-14-5-15(7-20)9-21(22,8-14)11-20/h3-4,14-15H,5-11H2,1-2H3,(H,23,24,25)