4-ethoxy-3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-ethoxy-3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C21H20F3N5O6S MolecularWeight: 527.47361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N5O6S/c1-2-35-18-6-3-13(11-17(18)29(33)34)19(30)25-20(36)27-9-7-26(8-10-27)15-5-4-14(21(22,23)24)12-16(15)28(31)32/h3-6,11-12H,2,7-10H2,1H3,(H,25,30,36)