N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C22H15BrN4OS MolecularWeight: 463.3497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN4OS/c23-15-10-11-20(24-13-15)26-22(29)27-21(28)17-12-19(14-6-2-1-3-7-14)25-18-9-5-4-8-16(17)18/h1-13H,(H2,24,26,27,28,29)