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

Systemtic Name: 2-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 2-nitro-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Traditional Name: 2-nitro-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C19H16F3N5O5S MolecularWeight: 483.42105

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N5O5S/c20-19(21,22)12-5-6-15(16(11-12)27(31)32)24-7-9-25(10-8-24)18(33)23-17(28)13-3-1-2-4-14(13)26(29)30/h1-6,11H,7-10H2,(H,23,28,33)