N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [2-(4-methylpiperazino)-2-(2-thienyl)ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H21F3N4O2S/c1-23-6-8-24(9-7-23)16(17-3-2-10-28-17)12-22-14-5-4-13(18(19,20)21)11-15(14)25(26)27/h2-5,10-11,16,22H,6-9,12H2,1H3