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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-methylhexyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(2S)-heptan-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-methylhexyl]-2-(2-thienyl)cinchoninamide Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS/c1-3-4-5-9-15(2)22-21(24)17-14-19(20-12-8-13-25-20)23-18-11-7-6-10-16(17)18/h6-8,10-15H,3-5,9H2,1-2H3,(H,22,24)/t15-/m0/s1