2-(4-ethylphenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-isoamyl-cinchoninamide Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C23H26N2OS/c1-4-17-9-11-18(12-10-17)27-22-15-20(23(26)24-14-13-16(2)3)19-7-5-6-8-21(19)25-22/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,26)