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

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[[3-(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(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O3S/c20-19(21,22)13-4-3-5-14(11-13)23-18(30)24-17(27)12-6-7-15(16(10-12)26(28)29)25-8-1-2-9-25/h3-7,10-11H,1-2,8-9H2,(H2,23,24,27,30)