(5S,7R)-3-bromanyl-N-(6-ethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(6-ethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C20H23BrN2OS/c1-2-12-3-4-15-16(6-12)25-18(22-15)23-17(24)19-7-13-5-14(8-19)10-20(21,9-13)11-19/h3-4,6,13-14H,2,5,7-11H2,1H3,(H,22,23,24)/t13-,14+,19?,20?