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

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-thiophen-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-2-thienyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4,5-dimethyl-2-thiophenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylcarbamoyl)-4,5-dimethyl-2-thienyl]-2-(3-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=CN=CC=C5)C

Isomeric SMILES

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

InChI

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