1-(1-adamantylcarbonyl)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NN=C(S5)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NN=C(S5)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C25H28N4O4S/c30-21(26-24-28-27-22(34-24)17-3-4-19-20(9-17)33-13-32-19)18-2-1-5-29(18)23(31)25-10-14-6-15(11-25)8-16(7-14)12-25/h3-4,9,14-16,18H,1-2,5-8,10-13H2,(H,26,28,30)