2-(5-chloranylthiophen-2-yl)-N-heptan-2-yl-quinoline-4-carboxamide

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-N-heptan-2-yl-quinoline-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-(1-methylhexyl)quinoline-4-carboxamide CAS Name: 2-(5-chloro-2-thiophenyl)-N-heptan-2-yl-4-quinolinecarboxamide IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-heptan-2-ylquinoline-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-(1-methylhexyl)cinchoninamide Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H23ClN2OS/c1-3-4-5-8-14(2)23-21(25)16-13-18(19-11-12-20(22)26-19)24-17-10-7-6-9-15(16)17/h6-7,9-14H,3-5,8H2,1-2H3,(H,23,25)