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

Systemtic Name: (5S,7R)-3-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[4-(4-fluorophenyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[4-(4-fluorophenyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[4-(4-fluorophenyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H24FN3O2S/c1-13(27)26-22-9-14-6-15(10-22)8-21(7-14,12-22)19(28)25-20-24-18(11-29-20)16-2-4-17(23)5-3-16/h2-5,11,14-15H,6-10,12H2,1H3,(H,26,27)(H,24,25,28)/t14-,15+,21?,22?