[5-tert-butyl-2-[[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]methyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [5-tert-butyl-2-[[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]methyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [5-tert-butyl-2-[[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]methyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-tert-butyl-2-[[[[[4-(methanesulfonamido)phenyl]methylamino]-sulfanylidenemethyl]amino]methyl]phenyl] ester IUPAC Name: [5-tert-butyl-2-[[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]methyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-tert-butyl-2-[[[4-(methanesulfonamido)benzyl]thiocarbamoylamino]methyl]phenyl] ester Formula: C25H35N3O4S2 MolecularWeight: 505.6931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C25H35N3O4S2/c1-24(2,3)19-11-10-18(21(14-19)32-22(29)25(4,5)6)16-27-23(33)26-15-17-8-12-20(13-9-17)28-34(7,30)31/h8-14,28H,15-16H2,1-7H3,(H2,26,27,33)