N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-2-(p-phenetylthio)cinchoninamide Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H21ClN2O2S/c1-2-30-18-11-13-19(14-12-18)31-24-15-21(20-8-4-6-10-23(20)28-24)25(29)27-16-17-7-3-5-9-22(17)26/h3-15H,2,16H2,1H3,(H,27,29)