1-[(1R,2S)-1,3-bis(oxidanyl)-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]-3-octyl-thiourea

Systemtic Name: 1-[(1R,2S)-1,3-bis(oxidanyl)-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]-3-octyl-thiourea Openeye Name: 1-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2-(2-tridecylcyclopropen-1-yl)ethyl]-3-octyl-thiourea CAS Name: 1-[(1R,2S)-1,3-dihydroxy-1-(2-tridecyl-1-cyclopropenyl)propan-2-yl]-3-octylthiourea IUPAC Name: 1-[(1R,2S)-1,3-dihydroxy-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]-3-octylthiourea Traditional Name: 1-[(1S,2R)-2-hydroxy-1-methylol-2-(2-tridecylcyclopropen-1-yl)ethyl]-3-octyl-thiourea Formula: C28H54N2O2S MolecularWeight: 482.80556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C1)C(C(CO)NC(=S)NCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C1)[C@H]([C@H](CO)NC(=S)NCCCCCCCC)O

InChI

InChI=1S/C28H54N2O2S/c1-3-5-7-9-11-12-13-14-15-16-18-20-24-22-25(24)27(32)26(23-31)30-28(33)29-21-19-17-10-8-6-4-2/h26-27,31-32H,3-23H2,1-2H3,(H2,29,30,33)/t26-,27+/m0/s1