N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2,3,5,6-tetrakis(fluoranyl)-4-methoxy-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2,3,5,6-tetrakis(fluoranyl)-4-methoxy-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxy-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-2,3,5,6-tetrafluoro-4-methoxy-benzamide Formula: C14H8BrF4N3O2S MolecularWeight: 438.194833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1F)F)C(=O)NC(=S)NC2=NC=C(C=C2)Br)F)F

Isomeric SMILES

COC1=C(C(=C(C(=C1F)F)C(=O)NC(=S)NC2=NC=C(C=C2)Br)F)F

InChI

InChI=1S/C14H8BrF4N3O2S/c1-24-12-10(18)8(16)7(9(17)11(12)19)13(23)22-14(25)21-6-3-2-5(15)4-20-6/h2-4H,1H3,(H2,20,21,22,23,25)