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

Systemtic Name: N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(4-iodo-2-methyl-phenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C28H26IN3O2S MolecularWeight: 595.49441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C

InChI

InChI=1S/C28H26IN3O2S/c1-17(2)16-34-21-8-6-7-19(14-21)26-15-23(22-9-4-5-10-25(22)30-26)27(33)32-28(35)31-24-12-11-20(29)13-18(24)3/h4-15,17H,16H2,1-3H3,(H2,31,32,33,35)