N-(1,3-benzodioxol-5-yl)-5-[3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]carbonyl-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-[3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]carbonyl-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-[3-(2-pyridylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-[oxo-[3-[oxo-(2-pyridinylmethylamino)methyl]-1-piperidinyl]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-[3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-[3-(2-pyridylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide Formula: C23H22N6O5S MolecularWeight: 494.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NN=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=NN=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C23H22N6O5S/c30-19(25-11-16-5-1-2-8-24-16)14-4-3-9-29(12-14)23(32)22-28-27-21(35-22)20(31)26-15-6-7-17-18(10-15)34-13-33-17/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,25,30)(H,26,31)