(5S,7R)-3-bromanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br)C

InChI

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