3-[(4-tert-butylphenyl)methyl]-1-[[2-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-1-oxidanyl-thiourea

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-1-[[2-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-1-oxidanyl-thiourea Openeye Name: 3-[(4-tert-butylphenyl)methyl]-1-[[2-fluoro-4-(methanesulfonamido)phenyl]methyl]-1-hydroxy-thiourea CAS Name: 3-[(4-tert-butylphenyl)methyl]-1-[[2-fluoro-4-(methanesulfonamido)phenyl]methyl]-1-hydroxythiourea IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-1-[[2-fluoro-4-(methanesulfonamido)phenyl]methyl]-1-hydroxythiourea Traditional Name: 3-(4-tert-butylbenzyl)-1-[2-fluoro-4-(methanesulfonamido)benzyl]-1-hydroxy-thiourea Formula: C20H26FN3O3S2 MolecularWeight: 439.567143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)N(CC2=C(C=C(C=C2)NS(=O)(=O)C)F)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)N(CC2=C(C=C(C=C2)NS(=O)(=O)C)F)O

InChI

InChI=1S/C20H26FN3O3S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(28)24(25)13-15-7-10-17(11-18(15)21)23-29(4,26)27/h5-11,23,25H,12-13H2,1-4H3,(H,22,28)