2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[piperonyl-[3-(trifluoromethyl)benzyl]amino]methyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C27H23F3N4O3S MolecularWeight: 540.55673

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC(=CC=C3)C(F)(F)F)CC4=NC(=CS4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC(=CC=C3)C(F)(F)F)CC4=NC(=CS4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H23F3N4O3S/c28-27(29,30)21-5-1-3-18(9-21)13-34(14-19-6-7-23-24(10-19)37-17-36-23)15-25-33-22(16-38-25)26(35)32-12-20-4-2-8-31-11-20/h1-11,16H,12-15,17H2,(H,32,35)