N-[5-[(6'-azanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioylamino]pentyl]-10-[fluoranyl(propan-2-yloxy)phosphoryl]decanamide

Systemtic Name: N-[5-[(6'-azanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioylamino]pentyl]-10-[fluoranyl(propan-2-yloxy)phosphoryl]decanamide Openeye Name: N-[5-[(6'-amino-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl)carbamothioylamino]pentyl]-10-[fluoro(isopropoxy)phosphoryl]decanamide CAS Name: N-[5-[[[(6'-amino-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl)amino]-sulfanylidenemethyl]amino]pentyl]-10-[fluoro(propan-2-yloxy)phosphoryl]decanamide IUPAC Name: N-[5-[(6'-amino-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioylamino]pentyl]-10-[fluoro(propan-2-yloxy)phosphoryl]decanamide Traditional Name: N-[5-[(6'-amino-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl)thiocarbamoylamino]pentyl]-10-[fluoro(isopropoxy)phosphoryl]capramide Formula: C39H50FN4O6PS MolecularWeight: 752.874664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N)C5=CC=CC=C5C(=O)O3)F

Isomeric SMILES

CC(C)OP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N)C5=CC=CC=C5C(=O)O3)F

InChI

InChI=1S/C39H50FN4O6PS/c1-27(2)50-51(40,47)24-14-7-5-3-4-6-9-17-36(45)42-22-12-8-13-23-43-38(52)44-29-19-21-33-35(26-29)48-34-25-28(41)18-20-32(34)39(33)31-16-11-10-15-30(31)37(46)49-39/h10-11,15-16,18-21,25-27H,3-9,12-14,17,22-24,41H2,1-2H3,(H,42,45)(H2,43,44,52)