1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3-[2,3,4-tris(fluoranyl)phenyl]thiourea

Systemtic Name: 1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3-[2,3,4-tris(fluoranyl)phenyl]thiourea Openeye Name: 1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-(2,3,4-trifluorophenyl)thiourea CAS Name: 1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-(2,3,4-trifluorophenyl)thiourea IUPAC Name: 1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-(2,3,4-trifluorophenyl)thiourea Traditional Name: 1-methyl-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-(2,3,4-trifluorophenyl)thiourea Formula: C14H19F3N2O5S MolecularWeight: 384.37127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C(C(C(CO)O)O)O)O)C(=S)NC1=C(C(=C(C=C1)F)F)F

Isomeric SMILES

CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)NC1=C(C(=C(C=C1)F)F)F

InChI

InChI=1S/C14H19F3N2O5S/c1-19(4-8(21)12(23)13(24)9(22)5-20)14(25)18-7-3-2-6(15)10(16)11(7)17/h2-3,8-9,12-13,20-24H,4-5H2,1H3,(H,18,25)/t8-,9+,12+,13+/m0/s1