(5S,7R)-3-bromanyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C18H18BrFN2OS MolecularWeight: 409.315723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrFN2OS/c19-18-7-10-3-11(8-18)6-17(5-10,9-18)15(23)22-16-21-13-2-1-12(20)4-14(13)24-16/h1-2,4,10-11H,3,5-9H2,(H,21,22,23)/t10-,11+,17?,18?