N-[(2S)-octan-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-octan-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-methylheptyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(2S)-octan-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-octan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-methylheptyl]-2-(2-thienyl)cinchoninamide Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C22H26N2OS/c1-3-4-5-6-10-16(2)23-22(25)18-15-20(21-13-9-14-26-21)24-19-12-8-7-11-17(18)19/h7-9,11-16H,3-6,10H2,1-2H3,(H,23,25)/t16-/m0/s1