4-ethoxy-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21F3N4O4S MolecularWeight: 482.47605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O4S/c1-2-32-18-8-5-13(11-17(18)28(30)31)19(29)26-20(33)25-15-12-14(21(22,23)24)6-7-16(15)27-9-3-4-10-27/h5-8,11-12H,2-4,9-10H2,1H3,(H2,25,26,29,33)