N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC=C(C=C4)Br

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN4O2S/c1-15(2)32-18-7-5-6-16(12-18)22-13-20(19-8-3-4-9-21(19)28-22)24(31)30-25(33)29-23-11-10-17(26)14-27-23/h3-15H,1-2H3,(H2,27,29,30,31,33)