(5S,7R)-3-oxidanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-oxidanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-[4-(3-pyridyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-[4-(3-pyridinyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-[4-(3-pyridyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C19H21N3O2S MolecularWeight: 355.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C19H21N3O2S/c23-16(18-5-12-4-13(6-18)8-19(24,7-12)11-18)22-17-21-15(10-25-17)14-2-1-3-20-9-14/h1-3,9-10,12-13,24H,4-8,11H2,(H,21,22,23)/t12-,13+,18?,19?