Analyte Name

N-(4-Methoxyphenyl)-N'-1,2,3-thiadiazol-5-yl-urea

CAS Number

135962-68-4

Molecular Formula

C20 H24 O5 S

Molecular Weight

376.467

Accurate Mass

376.134

SMILES

C[C@]12CC[C@@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@H]1CC[C@@]2(O)C#C

InChI

InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17+,18+,19-,20-/m0/s1

IUPAC

[(8R,9R,13S,14R,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat