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

Systemtic Name: N-(cyclohexylcarbamothioyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(cyclohexylcarbamothioyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(cyclohexylamino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(cyclohexylcarbamothioyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(cyclohexylthiocarbamoyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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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)NC4CCCCC4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4CCCCC4

InChI

InChI=1S/C27H31N3O2S/c1-18(2)17-32-21-12-8-9-19(15-21)25-16-23(22-13-6-7-14-24(22)29-25)26(31)30-27(33)28-20-10-4-3-5-11-20/h6-9,12-16,18,20H,3-5,10-11,17H2,1-2H3,(H2,28,30,31,33)