N-[[4-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C28H36N2O2S MolecularWeight: 464.66264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)(C6)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C4=CC=C(C=C4)NC(=S)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H36N2O2S/c31-24(26-9-17-5-18(10-26)7-19(6-17)11-26)30-25(33)29-23-3-1-22(2-4-23)27-12-20-8-21(13-27)15-28(32,14-20)16-27/h1-4,17-21,32H,5-16H2,(H2,29,30,31,33)/t17?,18?,19?,20-,21+,26?,27?,28?