N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-thiophen-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-thiophen-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-2-thienyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4,5-dimethyl-2-thiophenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-2-thienyl]-2-(2-pyridyl)cinchoninamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)C

InChI

InChI=1S/C28H28N4O2S/c1-17-18(2)35-28(25(17)27(34)30-19-10-4-3-5-11-19)32-26(33)21-16-24(23-14-8-9-15-29-23)31-22-13-7-6-12-20(21)22/h6-9,12-16,19H,3-5,10-11H2,1-2H3,(H,30,34)(H,32,33)