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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N4O3S/c1-13-2-4-14(5-3-13)18(28)24-19(31)26-10-8-25(9-11-26)16-7-6-15(20(21,22)23)12-17(16)27(29)30/h2-7,12H,8-11H2,1H3,(H,24,28,31)