ethanedioic acid; N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide

Systemtic Name: ethanedioic acid; N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide Openeye Name: N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide; oxalic acid CAS Name: N-(4-ethylphenyl)-2-[3-(phenylthio)propylamino]propanamide; oxalic acid IUPAC Name: N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide; oxalic acid Traditional Name: N-(4-ethylphenyl)-2-[3-(phenylthio)propylamino]propionamide; oxalic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)NCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)NCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2OS.C2H2O4/c1-3-17-10-12-18(13-11-17)22-20(23)16(2)21-14-7-15-24-19-8-5-4-6-9-19;3-1(4)2(5)6/h4-6,8-13,16,21H,3,7,14-15H2,1-2H3,(H,22,23);(H,3,4)(H,5,6)