(3R,5S)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-adamantane-1-carboxamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)C

InChI

InChI=1S/C20H23BrN2OS/c1-18-6-12-7-19(2,9-18)11-20(8-12,10-18)16(24)23-17-22-14-4-3-13(21)5-15(14)25-17/h3-5,12H,6-11H2,1-2H3,(H,22,23,24)/t12?,18-,19+,20?