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

Systemtic Name: N-[(3-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-(m-tolylcarbamothioyl)quinoline-4-carboxamide CAS Name: N-[(3-methylanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-(m-tolylthiocarbamoyl)cinchoninamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S/c1-18(2)17-33-22-11-7-9-20(15-22)26-16-24(23-12-4-5-13-25(23)30-26)27(32)31-28(34)29-21-10-6-8-19(3)14-21/h4-16,18H,17H2,1-3H3,(H2,29,31,32,34)