N-(cyclohexylcarbamothioyl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(cyclohexylcarbamothioyl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-(cyclohexylcarbamothioyl)-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(cyclohexylamino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(cyclohexylcarbamothioyl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-(cyclohexylthiocarbamoyl)-2-(3-isopropoxyphenyl)cinchoninamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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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)NC4CCCCC4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4CCCCC4

InChI

InChI=1S/C26H29N3O2S/c1-17(2)31-20-12-8-9-18(15-20)24-16-22(21-13-6-7-14-23(21)28-24)25(30)29-26(32)27-19-10-4-3-5-11-19/h6-9,12-17,19H,3-5,10-11H2,1-2H3,(H2,27,29,30,32)