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

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(phenylmethyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: N-(benzylcarbamothioyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[3-(2-methylpropoxy)phenyl]-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: N-(benzylcarbamothioyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(benzylthiocarbamoyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O2S/c1-19(2)18-33-22-12-8-11-21(15-22)26-16-24(23-13-6-7-14-25(23)30-26)27(32)31-28(34)29-17-20-9-4-3-5-10-20/h3-16,19H,17-18H2,1-2H3,(H2,29,31,32,34)