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

Systemtic Name: 2,2-dimethyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-propanamide Openeye Name: 2,2-dimethyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]propionamide Formula: C17H21F3N4O3S MolecularWeight: 418.43385

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H21F3N4O3S/c1-16(2,3)14(25)21-15(28)23-8-6-22(7-9-23)12-5-4-11(17(18,19)20)10-13(12)24(26)27/h4-5,10H,6-9H2,1-3H3,(H,21,25,28)