(3R,5S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,5-dimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-[4-(4-methoxyphenyl)-2-thiazolyl]-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,5-dimethyl-adamantane-1-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C23H28N2O2S/c1-21-8-15-9-22(2,12-21)14-23(10-15,13-21)19(26)25-20-24-18(11-28-20)16-4-6-17(27-3)7-5-16/h4-7,11,15H,8-10,12-14H2,1-3H3,(H,24,25,26)/t15?,21-,22+,23?