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

Systemtic Name: (5S,7R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H22N2O4S/c24-18(20-5-12-3-13(6-20)8-21(25,7-12)10-20)23-19-22-15(9-28-19)14-1-2-16-17(4-14)27-11-26-16/h1-2,4,9,12-13,25H,3,5-8,10-11H2,(H,22,23,24)/t12-,13+,20?,21?