methyl 6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H18F2N2O4S MolecularWeight: 360.376226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C15H18F2N2O4S/c1-21-13(20)5-3-2-4-8-18-14(24)19-10-6-7-11-12(9-10)23-15(16,17)22-11/h6-7,9H,2-5,8H2,1H3,(H2,18,19,24)