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

Systemtic Name: (5S,7R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(4-ethylphenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(4-ethylphenyl)-2-thiazolyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(4-ethylphenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O2S/c1-2-14-3-5-17(6-4-14)18-12-27-20(23-18)24-19(25)21-8-15-7-16(9-21)11-22(26,10-15)13-21/h3-6,12,15-16,26H,2,7-11,13H2,1H3,(H,23,24,25)/t15-,16+,21?,22?