N-octan-2-yl-2-thiophen-3-yl-quinoline-4-carboxamide

Systemtic Name: N-octan-2-yl-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: N-(1-methylheptyl)-2-(3-thienyl)quinoline-4-carboxamide CAS Name: N-octan-2-yl-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-octan-2-yl-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-(1-methylheptyl)-2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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