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

Systemtic Name: 2-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-propanamide Openeye Name: 2-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]propanamide CAS Name: 2-methyl-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]propanamide Traditional Name: 2-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]propionamide Formula: C16H19F3N4O3S MolecularWeight: 404.40727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N4O3S/c1-10(2)14(24)20-15(27)22-7-5-21(6-8-22)12-4-3-11(16(17,18)19)9-13(12)23(25)26/h3-4,9-10H,5-8H2,1-2H3,(H,20,24,27)