2-(3-propan-2-yloxyphenyl)-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-propan-2-yloxyphenyl)-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-(2-pyridylcarbamothioyl)quinoline-4-carboxamide CAS Name: 2-(3-propan-2-yloxyphenyl)-N-[(2-pyridinylamino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-propan-2-yloxyphenyl)-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-(2-pyridylthiocarbamoyl)cinchoninamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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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=CC=CC=N4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=N4

InChI

InChI=1S/C25H22N4O2S/c1-16(2)31-18-9-7-8-17(14-18)22-15-20(19-10-3-4-11-21(19)27-22)24(30)29-25(32)28-23-12-5-6-13-26-23/h3-16H,1-2H3,(H2,26,28,29,30,32)