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

Systemtic Name: (5S,7R)-3-(4-methylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(p-tolyl)-N-[4-(2-pyridyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-(4-methylphenyl)-N-[4-(2-pyridinyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(4-methylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-(p-tolyl)-N-[4-(2-pyridyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C26H27N3OS MolecularWeight: 429.57708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NC(=CS5)C6=CC=CC=N6

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NC5=NC(=CS5)C6=CC=CC=N6

InChI

InChI=1S/C26H27N3OS/c1-17-5-7-20(8-6-17)25-11-18-10-19(12-25)14-26(13-18,16-25)23(30)29-24-28-22(15-31-24)21-4-2-3-9-27-21/h2-9,15,18-19H,10-14,16H2,1H3,(H,28,29,30)/t18-,19+,25?,26?