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

Systemtic Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-butanamide Openeye Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]butanamide CAS Name: 3-methyl-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]butanamide Traditional Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]butyramide Formula: C17H21F3N4O3S MolecularWeight: 418.43385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3N4O3S/c1-11(2)9-15(25)21-16(28)23-7-5-22(6-8-23)13-4-3-12(17(18,19)20)10-14(13)24(26)27/h3-4,10-11H,5-9H2,1-2H3,(H,21,25,28)