ethanedioic acid; 3-(3-phenylsulfanylpropylamino)propanamide

Systemtic Name: ethanedioic acid; 3-(3-phenylsulfanylpropylamino)propanamide Openeye Name: oxalic acid; 3-(3-phenylsulfanylpropylamino)propanamide CAS Name: oxalic acid; 3-[3-(phenylthio)propylamino]propanamide IUPAC Name: oxalic acid; 3-(3-phenylsulfanylpropylamino)propanamide Traditional Name: oxalic acid; 3-[3-(phenylthio)propylamino]propionamide Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNCCC(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNCCC(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2OS.C2H2O4/c13-12(15)7-9-14-8-4-10-16-11-5-2-1-3-6-11;3-1(4)2(5)6/h1-3,5-6,14H,4,7-10H2,(H2,13,15);(H,3,4)(H,5,6)