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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-2-26-15-3-4-16-17(6-15)27-19(23-16)24-18(25)11-20-7-13-5-14(8-20)10-21(22,9-13)12-20/h3-4,6,13-14H,2,5,7-12H2,1H3,(H,23,24,25)