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

Systemtic Name: 3-ethoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-ethoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Traditional Name: 3-ethoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C21H21F3N4O4S MolecularWeight: 482.47605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N4O4S/c1-2-32-16-5-3-4-14(12-16)19(29)25-20(33)27-10-8-26(9-11-27)17-7-6-15(21(22,23)24)13-18(17)28(30)31/h3-7,12-13H,2,8-11H2,1H3,(H,25,29,33)