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

Systemtic Name: (5S,7R)-3-bromanyl-N-[4-(diphenylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(4-benzhydrylthiazol-2-yl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[4-(diphenylmethyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(4-benzhydryl-1,3-thiazol-2-yl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(4-benzhydrylthiazol-2-yl)-3-bromo-adamantane-1-carboxamide Formula: C27H27BrN2OS MolecularWeight: 507.48508

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=NC(=CS4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NC4=NC(=CS4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H27BrN2OS/c28-27-14-18-11-19(15-27)13-26(12-18,17-27)24(31)30-25-29-22(16-32-25)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,16,18-19,23H,11-15,17H2,(H,29,30,31)/t18-,19+,26?,27?