(5S,7R)-3-bromanyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-bromo-adamantane-1-carboxamide Formula: C20H22BrN3OS MolecularWeight: 432.37718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=NN=C(S4)CC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NC4=NN=C(S4)CC5=CC=CC=C5

InChI

InChI=1S/C20H22BrN3OS/c21-20-10-14-6-15(11-20)9-19(8-14,12-20)17(25)22-18-24-23-16(26-18)7-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,22,24,25)/t14-,15+,19?,20?