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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C

InChI

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