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

Systemtic Name: 3-bromanyl-N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C17H13BrClF3N2O2S MolecularWeight: 481.71453

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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)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClF3N2O2S/c1-2-26-14-6-3-9(7-11(14)18)15(25)24-16(27)23-13-8-10(17(20,21)22)4-5-12(13)19/h3-8H,2H2,1H3,(H2,23,24,25,27)