3-[2-[(5-bromanylpyridin-2-yl)carbamothioylamino]ethyl]-2,4-bis(fluoranyl)-N-methyl-benzamide

Systemtic Name: 3-[2-[(5-bromanylpyridin-2-yl)carbamothioylamino]ethyl]-2,4-bis(fluoranyl)-N-methyl-benzamide Openeye Name: 3-[2-[(5-bromo-2-pyridyl)carbamothioylamino]ethyl]-2,4-difluoro-N-methyl-benzamide CAS Name: 3-[2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]ethyl]-2,4-difluoro-N-methylbenzamide IUPAC Name: 3-[2-[(5-bromopyridin-2-yl)carbamothioylamino]ethyl]-2,4-difluoro-N-methylbenzamide Traditional Name: 3-[2-[(5-bromo-2-pyridyl)thiocarbamoylamino]ethyl]-2,4-difluoro-N-methyl-benzamide Formula: C16H15BrF2N4OS MolecularWeight: 429.282306

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)F

Isomeric SMILES

CNC(=O)C1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)F

InChI

InChI=1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)