2-(4-ethylphenyl)sulfanyl-N-heptyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-heptyl-quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-heptyl-quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-heptyl-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-heptylquinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-heptyl-cinchoninamide Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)CC

InChI

InChI=1S/C25H30N2OS/c1-3-5-6-7-10-17-26-25(28)22-18-24(27-23-12-9-8-11-21(22)23)29-20-15-13-19(4-2)14-16-20/h8-9,11-16,18H,3-7,10,17H2,1-2H3,(H,26,28)