N-(2-methylsulfanylethyl)-2-thiomorpholin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-thiomorpholin-4-yl-quinoline-4-carboxamide Openeye Name: N-(2-methylsulfanylethyl)-2-thiomorpholino-quinoline-4-carboxamide CAS Name: N-[2-(methylthio)ethyl]-2-thiomorpholin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(2-methylsulfanylethyl)-2-thiomorpholin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(methylthio)ethyl]-2-thiomorpholino-cinchoninamide Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCSCC3

Isomeric SMILES

CSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCSCC3

InChI

InChI=1S/C17H21N3OS2/c1-22-9-6-18-17(21)14-12-16(20-7-10-23-11-8-20)19-15-5-3-2-4-13(14)15/h2-5,12H,6-11H2,1H3,(H,18,21)