2-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propylamino]ethylsulfanylphosphonic acid CAS Name: [2-[3-[4-[3-[[(octadecylamino)-sulfanylidenemethyl]amino]propyl]-1-piperazinyl]propylamino]ethylthio]phosphonic acid IUPAC Name: 2-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[3-[4-[3-(stearylthiocarbamoylamino)propyl]piperazino]propylamino]ethylthio]phosphonic acid Formula: C31H66N5O3PS2 MolecularWeight: 651.991201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NCCCN1CCN(CC1)CCCNCCSP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NCCCN1CCN(CC1)CCCNCCSP(=O)(O)O

InChI

InChI=1S/C31H66N5O3PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-31(41)34-22-19-25-36-28-26-35(27-29-36)24-18-20-32-23-30-42-40(37,38)39/h32H,2-30H2,1H3,(H2,33,34,41)(H2,37,38,39)