N-[2-(2-azanylethylsulfanyl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[2-(2-azanylethylsulfanyl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-(2-aminoethylsulfanyl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-(2-aminoethylthio)-3-(3-methylbut-2-enyl)-5-benzimidazolyl]benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-(2-aminoethylsulfanyl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-(2-aminoethylthio)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide; 2,2,2-trifluoroacetic acid Formula: C23H25F3N4O3S MolecularWeight: 494.52981

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N=C1SCCN)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N=C1SCCN)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H24N4OS.C2HF3O2/c1-15(2)10-12-25-19-14-17(23-20(26)16-6-4-3-5-7-16)8-9-18(19)24-21(25)27-13-11-22;3-2(4,5)1(6)7/h3-10,14H,11-13,22H2,1-2H3,(H,23,26);(H,6,7)