N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-2-phenyl-ethanamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-2-phenyl-ethanamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-2-phenyl-acetamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-2-phenylacetamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-2-phenyl-acetamide Formula: C20H19F3N4O3S MolecularWeight: 452.45007

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H19F3N4O3S/c21-20(22,23)15-6-7-16(17(13-15)27(29)30)25-8-10-26(11-9-25)19(31)24-18(28)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,24,28,31)