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

Systemtic Name: (5S,7R)-N-(1,3-benzothiazol-2-yl)-3-bromanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(1,3-benzothiazol-2-yl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(1,3-benzothiazol-2-yl)-3-bromo-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(1,3-benzothiazol-2-yl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(1,3-benzothiazol-2-yl)-3-bromo-adamantane-1-carboxamide Formula: C18H19BrN2OS MolecularWeight: 391.32526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H19BrN2OS/c19-18-8-11-5-12(9-18)7-17(6-11,10-18)15(22)21-16-20-13-3-1-2-4-14(13)23-16/h1-4,11-12H,5-10H2,(H,20,21,22)/t11-,12+,17?,18?