2-(4-ethoxyphenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-(3-methoxypropyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide Traditional Name: N-(3-methoxypropyl)-2-(p-phenetylthio)cinchoninamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCOC

InChI

InChI=1S/C22H24N2O3S/c1-3-27-16-9-11-17(12-10-16)28-21-15-19(22(25)23-13-6-14-26-2)18-7-4-5-8-20(18)24-21/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H,23,25)