1-diethylphosphorylsulfanyl-3-[6-(diethylphosphorylsulfanylcarbamoylamino)decan-5-yl]urea

Systemtic Name: 1-diethylphosphorylsulfanyl-3-[6-(diethylphosphorylsulfanylcarbamoylamino)decan-5-yl]urea Openeye Name: 1-[1-butyl-2-(diethylphosphorylsulfanylcarbamoylamino)hexyl]-3-diethylphosphorylsulfanyl-urea CAS Name: 1-(diethylphosphorylthio)-3-[6-[[[(diethylphosphorylthio)amino]-oxomethyl]amino]decan-5-yl]urea IUPAC Name: 1-diethylphosphorylsulfanyl-3-[6-(diethylphosphorylsulfanylcarbamoylamino)decan-5-yl]urea Traditional Name: 1-[1-butyl-2-[(diethylphosphorylthio)carbamoylamino]hexyl]-3-(diethylphosphorylthio)urea Formula: C20H44N4O4P2S2 MolecularWeight: 530.665282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCC)NC(=O)NSP(=O)(CC)CC)NC(=O)NSP(=O)(CC)CC

Isomeric SMILES

CCCCC(C(CCCC)NC(=O)NSP(=O)(CC)CC)NC(=O)NSP(=O)(CC)CC

InChI

InChI=1S/C20H44N4O4P2S2/c1-7-13-15-17(21-19(25)23-31-29(27,9-3)10-4)18(16-14-8-2)22-20(26)24-32-30(28,11-5)12-6/h17-18H,7-16H2,1-6H3,(H2,21,23,25)(H2,22,24,26)