N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]methyl]thiazol-2-yl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]methyl]-2-thiazolyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[4-[[(3S)-3-methylpiperidino]methyl]thiazol-2-yl]-2-(2-pyridyl)cinchoninamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C25H25N5OS/c1-17-7-6-12-30(14-17)15-18-16-32-25(27-18)29-24(31)20-13-23(22-10-4-5-11-26-22)28-21-9-3-2-8-19(20)21/h2-5,8-11,13,16-17H,6-7,12,14-15H2,1H3,(H,27,29,31)/t17-/m0/s1