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

Systemtic Name: (5S,7R)-3-acetamido-N-(6-fluoranyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C20H22FN3O2S/c1-11(25)24-20-8-12-4-13(9-20)7-19(6-12,10-20)17(26)23-18-22-15-3-2-14(21)5-16(15)27-18/h2-3,5,12-13H,4,6-10H2,1H3,(H,24,25)(H,22,23,26)/t12-,13+,19?,20?