5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3-[[2,3,6-tris(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxamide

Systemtic Name: 5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3-[[2,3,6-tris(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxamide Openeye Name: 5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3-[(2,3,6-trifluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxamide CAS Name: 5-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxamide IUPAC Name: 5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide Traditional Name: 5-(3-pyrrolidinopropylcarbamoylamino)-3-(2,3,6-trifluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxamide Formula: C20H24F3N5O3S MolecularWeight: 471.49647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCN3CCCC3)F

Isomeric SMILES

CC1=CC(=C(C(=C1F)F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCN3CCCC3)F

InChI

InChI=1S/C20H24F3N5O3S/c1-11-9-13(21)12(16(23)15(11)22)10-31-18-14(17(24)29)19(32-27-18)26-20(30)25-5-4-8-28-6-2-3-7-28/h9H,2-8,10H2,1H3,(H2,24,29)(H2,25,26,30)