ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(2,2,2-trifluoroethoxy)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H22F6N2O4S2 MolecularWeight: 592.573599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22F6N2O4S2/c1-2-35-22(34)20-12-19(8-15-6-4-3-5-7-15)39-21(20)33-23(38)32-16-9-17(36-13-24(26,27)28)11-18(10-16)37-14-25(29,30)31/h3-7,9-12H,2,8,13-14H2,1H3,(H2,32,33,38)