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

Systemtic Name: N-[(3-methoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-[(3-methoxyphenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: N-[(3-methoxyanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-[(3-methoxyphenyl)thiocarbamoyl]cinchoninamide Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-18(2)17-34-22-11-6-8-19(14-22)26-16-24(23-12-4-5-13-25(23)30-26)27(32)31-28(35)29-20-9-7-10-21(15-20)33-3/h4-16,18H,17H2,1-3H3,(H2,29,31,32,35)