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

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=NC5=C(S4)C=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)NC4=NC5=C(S4)C=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C25H25BrN2O2S/c26-25-12-16-8-17(13-25)11-24(10-16,15-25)14-22(29)28-23-27-20-7-6-19(9-21(20)31-23)30-18-4-2-1-3-5-18/h1-7,9,16-17H,8,10-15H2,(H,27,28,29)/t16-,17+,24?,25?