[3,4,5-tris(propylcarbamoyloxy)-6-sulfanyl-oxan-2-yl]methyl N-propylcarbamate

Systemtic Name: [3,4,5-tris(propylcarbamoyloxy)-6-sulfanyl-oxan-2-yl]methyl N-propylcarbamate Openeye Name: [3,4,5-tris(propylcarbamoyloxy)-6-sulfanyl-tetrahydropyran-2-yl]methyl N-propylcarbamate CAS Name: N-propylcarbamic acid [6-mercapto-3,4,5-tris[oxo(propylamino)methoxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tris(propylcarbamoyloxy)-6-sulfanyloxan-2-yl]methyl N-propylcarbamate Traditional Name: N-propylcarbamic acid [6-mercapto-3,4,5-tris(propylcarbamoyloxy)tetrahydropyran-2-yl]methyl ester Formula: C22H40N4O9S MolecularWeight: 536.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCC1C(C(C(C(O1)S)OC(=O)NCCC)OC(=O)NCCC)OC(=O)NCCC

Isomeric SMILES

CCCNC(=O)OCC1C(C(C(C(O1)S)OC(=O)NCCC)OC(=O)NCCC)OC(=O)NCCC

InChI

InChI=1S/C22H40N4O9S/c1-5-9-23-19(27)31-13-14-15(33-20(28)24-10-6-2)16(34-21(29)25-11-7-3)17(18(36)32-14)35-22(30)26-12-8-4/h14-18,36H,5-13H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)