(5S,7R)-3-bromanyl-N-(4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(4-phenylthiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(4-phenyl-2-thiazolyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4-phenylthiazol-2-yl)adamantane-1-carboxamide Formula: C20H21BrN2OS MolecularWeight: 417.36254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2OS/c21-20-9-13-6-14(10-20)8-19(7-13,12-20)17(24)23-18-22-16(11-25-18)15-4-2-1-3-5-15/h1-5,11,13-14H,6-10,12H2,(H,22,23,24)/t13-,14+,19?,20?