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

Systemtic Name: (5S,7R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(4-chlorophenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(4-chlorophenyl)-2-thiazolyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(4-chlorophenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H21ClN2O2S/c21-15-3-1-14(2-4-15)16-10-26-18(22-16)23-17(24)19-6-12-5-13(7-19)9-20(25,8-12)11-19/h1-4,10,12-13,25H,5-9,11H2,(H,22,23,24)/t12-,13+,19?,20?