ethanedioic acid; N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(3-morpholinopropylamino)acetamide; oxalic acid CAS Name: N-[2-(methylthio)phenyl]-2-[3-(4-morpholinyl)propylamino]acetamide; oxalic acid IUPAC Name: N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide; oxalic acid Traditional Name: N-[2-(methylthio)phenyl]-2-(3-morpholinopropylamino)acetamide; oxalic acid Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CNCCCN2CCOCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CNCCCN2CCOCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O2S.C2H2O4/c1-22-15-6-3-2-5-14(15)18-16(20)13-17-7-4-8-19-9-11-21-12-10-19;3-1(4)2(5)6/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20);(H,3,4)(H,5,6)