1-(1-adamantylcarbonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NC6=C(S5)C=C(C=C6)F

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NC6=C(S5)C=C(C=C6)F

InChI

InChI=1S/C23H26FN3O2S/c24-16-3-4-17-19(9-16)30-22(25-17)26-20(28)18-2-1-5-27(18)21(29)23-10-13-6-14(11-23)8-15(7-13)12-23/h3-4,9,13-15,18H,1-2,5-8,10-12H2,(H,25,26,28)