3,5-bis(bromanyl)-2-methoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H18Br2F3N3O2S MolecularWeight: 581.24403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)Br)Br

InChI

InChI=1S/C20H18Br2F3N3O2S/c1-30-17-13(9-12(21)10-14(17)22)18(29)27-19(31)26-15-8-11(20(23,24)25)4-5-16(15)28-6-2-3-7-28/h4-5,8-10H,2-3,6-7H2,1H3,(H2,26,27,29,31)