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

Systemtic Name: N-[ethyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[ethyl(phenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(N-ethylanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[ethyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[ethyl(phenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C

InChI

InChI=1S/C28H27N3O2S/c1-4-31(21-12-6-5-7-13-21)28(34)30-27(32)24-18-26(29-25-16-9-8-15-23(24)25)20-11-10-14-22(17-20)33-19(2)3/h5-19H,4H2,1-3H3,(H,30,32,34)