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

Systemtic Name: (5S,7R)-3-oxidanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-[4-(4-propoxyphenyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-[4-(4-propoxyphenyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-[4-(4-propoxyphenyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H28N2O3S/c1-2-7-28-18-5-3-17(4-6-18)19-13-29-21(24-19)25-20(26)22-9-15-8-16(10-22)12-23(27,11-15)14-22/h3-6,13,15-16,27H,2,7-12,14H2,1H3,(H,24,25,26)/t15-,16+,22?,23?