N-[(3-hydroxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(3-hydroxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(3-hydroxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(3-hydroxyanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3-hydroxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(3-hydroxyphenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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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=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c1-16(2)32-20-10-5-7-17(13-20)24-15-22(21-11-3-4-12-23(21)28-24)25(31)29-26(33)27-18-8-6-9-19(30)14-18/h3-16,30H,1-2H3,(H2,27,29,31,33)