O-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate

Systemtic Name: O-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate Openeye Name: O-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate CAS Name: N-[(4-tert-butylphenyl)methyl]carbamothioic acid O-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl] ester IUPAC Name: O-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate Traditional Name: N-(4-tert-butylbenzyl)thiocarbamic acid O-[3-fluoro-4-(methanesulfonamido)benzyl] ester Formula: C20H25FN2O3S2 MolecularWeight: 424.552503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)OCC2=CC(=C(C=C2)NS(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)OCC2=CC(=C(C=C2)NS(=O)(=O)C)F

InChI

InChI=1S/C20H25FN2O3S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)26-13-15-7-10-18(17(21)11-15)23-28(4,24)25/h5-11,23H,12-13H2,1-4H3,(H,22,27)