N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C22H25F3N4O3S MolecularWeight: 482.51911

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C22H25F3N4O3S/c1-3-27-8-10-28(11-9-27)17-5-6-18(15(2)12-17)26-21(30)14-33-20-7-4-16(22(23,24)25)13-19(20)29(31)32/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,26,30)