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

Systemtic Name: (5S,7R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-17-4-3-15(6-18(17)28-2)16-11-29-20(23-16)24-19(25)21-7-13-5-14(8-21)10-22(26,9-13)12-21/h3-4,6,11,13-14,26H,5,7-10,12H2,1-2H3,(H,23,24,25)/t13-,14+,21?,22?