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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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