N-[(4-ethanoylphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(4-ethanoylphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=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)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H25N3O3S/c1-17(2)34-22-8-6-7-20(15-22)26-16-24(23-9-4-5-10-25(23)30-26)27(33)31-28(35)29-21-13-11-19(12-14-21)18(3)32/h4-17H,1-3H3,(H2,29,31,33,35)