1-(2-methylphenyl)-3-[4-oxidanylidene-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentakis(oxidanyl)pentyl]-1,3-thiazolidin-3-yl]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[4-oxidanylidene-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentakis(oxidanyl)pentyl]-1,3-thiazolidin-3-yl]thiourea Openeye Name: 1-(o-tolyl)-3-[4-oxo-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]thiazolidin-3-yl]thiourea CAS Name: 1-(2-methylphenyl)-3-[4-oxo-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-3-thiazolidinyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[4-oxo-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3-thiazolidin-3-yl]thiourea Traditional Name: 1-[4-keto-2-[(1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]thiazolidin-3-yl]-3-(o-tolyl)thiourea Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN2C(SCC2=O)C(C(C(C(CO)O)O)O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN2C(SCC2=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C16H23N3O6S2/c1-8-4-2-3-5-9(8)17-16(26)18-19-11(22)7-27-15(19)14(25)13(24)12(23)10(21)6-20/h2-5,10,12-15,20-21,23-25H,6-7H2,1H3,(H2,17,18,26)/t10-,12-,13+,14-,15?/m1/s1