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

Systemtic Name: N-[(4-iodophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(4-iodophenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(4-iodoanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-iodophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(4-iodophenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C26H22IN3O2S MolecularWeight: 567.44125

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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=C(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C26H22IN3O2S/c1-16(2)32-20-7-5-6-17(14-20)24-15-22(21-8-3-4-9-23(21)29-24)25(31)30-26(33)28-19-12-10-18(27)11-13-19/h3-16H,1-2H3,(H2,28,30,31,33)