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

Systemtic Name: N-(diethylcarbamothioyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(diethylcarbamothioyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[diethylamino(sulfanylidene)methyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(diethylcarbamothioyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(diethylthiocarbamoyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OCC(C)C

Isomeric SMILES

CCN(CC)C(=S)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OCC(C)C

InChI

InChI=1S/C25H29N3O2S/c1-5-28(6-2)25(31)27-24(29)21-15-23(26-22-13-8-7-12-20(21)22)18-10-9-11-19(14-18)30-16-17(3)4/h7-15,17H,5-6,16H2,1-4H3,(H,27,29,31)