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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21ClF3N3O2S MolecularWeight: 471.92355

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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)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)Cl

InChI

InChI=1S/C21H21ClF3N3O2S/c1-2-30-18-8-5-13(11-15(18)22)19(29)27-20(31)26-16-12-14(21(23,24)25)6-7-17(16)28-9-3-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3,(H2,26,27,29,31)