4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]isothiazole-3-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-3-isothiazolecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide Traditional Name: 4-(piperonylamino)-N-[3-(trifluoromethyl)phenyl]isothiazole-3-carboxamide Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CSN=C3C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CSN=C3C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O3S/c20-19(21,22)12-2-1-3-13(7-12)24-18(26)17-14(9-29-25-17)23-8-11-4-5-15-16(6-11)28-10-27-15/h1-7,9,23H,8,10H2,(H,24,26)