5-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]amino]isophthalamide Formula: C21H20F3N5O3S MolecularWeight: 479.47541

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H20F3N5O3S/c1-2-5-29-16-9-13(21(22,23)24)3-4-15(16)28-20(29)33-10-17(30)27-14-7-11(18(25)31)6-12(8-14)19(26)32/h3-4,6-9H,2,5,10H2,1H3,(H2,25,31)(H2,26,32)(H,27,30)