methyl 5-(phenylmethyl)-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H21F7N2O4S2 MolecularWeight: 610.564062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F

InChI

InChI=1S/C25H21F7N2O4S2/c1-36-21(35)19-11-18(7-14-5-3-2-4-6-14)40-20(19)34-23(39)33-15-8-16(37-12-24(28,29)22(26)27)10-17(9-15)38-13-25(30,31)32/h2-6,8-11,22H,7,12-13H2,1H3,(H2,33,34,39)