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

Systemtic Name: (5S,7R)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(4-fluorophenyl)-5-methyl-2-thiazolyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H23FN2O2S/c1-12-17(15-2-4-16(22)5-3-15)23-19(27-12)24-18(25)20-7-13-6-14(8-20)10-21(26,9-13)11-20/h2-5,13-14,26H,6-11H2,1H3,(H,23,24,25)/t13-,14+,20?,21?