3-nitro-4-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H17F3N4O3S MolecularWeight: 438.42349

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O3S/c20-19(21,22)13-5-1-2-6-14(13)23-18(30)24-17(27)12-7-8-15(16(11-12)26(28)29)25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10H2,(H2,23,24,27,30)