N-[(4-iodophenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[(4-iodophenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(4-iodophenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(4-iodoanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(4-iodophenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(4-iodophenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C27H24IN3O2S MolecularWeight: 581.46783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)I

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C27H24IN3O2S/c1-17(2)16-33-21-7-5-6-18(14-21)25-15-23(22-8-3-4-9-24(22)30-25)26(32)31-27(34)29-20-12-10-19(28)11-13-20/h3-15,17H,16H2,1-2H3,(H2,29,31,32,34)