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

Systemtic Name: 1-(1-adamantylcarbonyl)-N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-(1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C23H27N3O2S/c27-20(25-22-24-17-4-1-2-6-19(17)29-22)18-5-3-7-26(18)21(28)23-11-14-8-15(12-23)10-16(9-14)13-23/h1-2,4,6,14-16,18H,3,5,7-13H2,(H,24,25,27)