N-dodecyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-dodecyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-dodecyl-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-dodecyl-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-dodecyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-lauryl-2-(5-methyl-2-thienyl)cinchoninamide Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)C

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)C

InChI

InChI=1S/C27H36N2OS/c1-3-4-5-6-7-8-9-10-11-14-19-28-27(30)23-20-25(26-18-17-21(2)31-26)29-24-16-13-12-15-22(23)24/h12-13,15-18,20H,3-11,14,19H2,1-2H3,(H,28,30)