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

Systemtic Name: (5S,7R)-3-acetamido-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[4-(4-pyridyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(4-pyridin-4-yl-2-thiazolyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[4-(4-pyridyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC(=CS4)C5=CC=NC=C5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=NC(=CS4)C5=CC=NC=C5

InChI

InChI=1S/C21H24N4O2S/c1-13(26)25-21-9-14-6-15(10-21)8-20(7-14,12-21)18(27)24-19-23-17(11-28-19)16-2-4-22-5-3-16/h2-5,11,14-15H,6-10,12H2,1H3,(H,25,26)(H,23,24,27)/t14-,15+,20?,21?