2-[3-(phenylcarbamoylamino)propylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[3-(phenylcarbamoylamino)propylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[3-(phenylcarbamoylamino)propylamino]ethylsulfanylphosphonic acid CAS Name: [2-[3-[[anilino(oxo)methyl]amino]propylamino]ethylthio]phosphonic acid IUPAC Name: 2-[3-(phenylcarbamoylamino)propylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[3-(phenylcarbamoylamino)propylamino]ethylthio]phosphonic acid Formula: C12H20N3O4PS MolecularWeight: 333.343661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCCNCCSP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCCNCCSP(=O)(O)O

InChI

InChI=1S/C12H20N3O4PS/c16-12(15-11-5-2-1-3-6-11)14-8-4-7-13-9-10-21-20(17,18)19/h1-3,5-6,13H,4,7-10H2,(H2,14,15,16)(H2,17,18,19)