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

Systemtic Name: 3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-piperidino-benzamide Formula: C24H25F3N6O5S MolecularWeight: 566.55271

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H25F3N6O5S/c25-24(26,27)17-5-7-19(21(15-17)33(37)38)30-10-12-31(13-11-30)23(39)28-22(34)16-4-6-18(20(14-16)32(35)36)29-8-2-1-3-9-29/h4-7,14-15H,1-3,8-13H2,(H,28,34,39)