[2-phenyl-6-[(5-phenyl-5-phosphonooxy-hexyl)carbamothioylamino]hexan-2-yl] dihydrogen phosphate

Systemtic Name: [2-phenyl-6-[(5-phenyl-5-phosphonooxy-hexyl)carbamothioylamino]hexan-2-yl] dihydrogen phosphate Openeye Name: [1-methyl-1-phenyl-5-[(5-phenyl-5-phosphonooxy-hexyl)carbamothioylamino]pentyl] dihydrogen phosphate CAS Name: [2-phenyl-6-[[[(5-phenyl-5-phosphonooxyhexyl)amino]-sulfanylidenemethyl]amino]hexan-2-yl] dihydrogen phosphate IUPAC Name: [2-phenyl-6-[(5-phenyl-5-phosphonooxyhexyl)carbamothioylamino]hexan-2-yl] dihydrogen phosphate Traditional Name: [1-methyl-1-phenyl-5-[(5-phenyl-5-phosphonooxy-hexyl)thiocarbamoylamino]pentyl] dihydrogen phosphate Formula: C25H38N2O8P2S MolecularWeight: 588.590342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)OP(=O)(O)O)(C2=CC=CC=C2)OP(=O)(O)O

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)OP(=O)(O)O)(C2=CC=CC=C2)OP(=O)(O)O

InChI

InChI=1S/C25H38N2O8P2S/c1-24(34-36(28,29)30,21-13-5-3-6-14-21)17-9-11-19-26-23(38)27-20-12-10-18-25(2,35-37(31,32)33)22-15-7-4-8-16-22/h3-8,13-16H,9-12,17-20H2,1-2H3,(H2,26,27,38)(H2,28,29,30)(H2,31,32,33)