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

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-phenethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-phenethylquinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-phenethyl-cinchoninamide Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS/c1-2-19-12-14-21(15-13-19)30-25-18-23(22-10-6-7-11-24(22)28-25)26(29)27-17-16-20-8-4-3-5-9-20/h3-15,18H,2,16-17H2,1H3,(H,27,29)