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

Systemtic Name: N-[(4-ethanoylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C29H27N3O3S MolecularWeight: 497.60798

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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)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O3S/c1-18(2)17-35-23-8-6-7-21(15-23)27-16-25(24-9-4-5-10-26(24)31-27)28(34)32-29(36)30-22-13-11-20(12-14-22)19(3)33/h4-16,18H,17H2,1-3H3,(H2,30,32,34,36)