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

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylethanamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]acetamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]acetamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]acetamide Formula: C14H15F3N4O3S MolecularWeight: 376.35411

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H15F3N4O3S/c1-9(22)18-13(25)20-6-4-19(5-7-20)11-3-2-10(14(15,16)17)8-12(11)21(23)24/h2-3,8H,4-7H2,1H3,(H,18,22,25)