N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-(8-quinolylthio)acetamide Formula: C21H19F3N4O3S MolecularWeight: 464.46077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C21H19F3N4O3S/c22-21(23,24)15-7-8-16(17(12-15)28(30)31)25-10-3-11-26-19(29)13-32-18-6-1-4-14-5-2-9-27-20(14)18/h1-2,4-9,12,25H,3,10-11,13H2,(H,26,29)