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

Systemtic Name: 1-[(2-tert-butylphenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(2-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(2-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(2-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(2-tert-butylbenzyl)-3-[3-fluoro-4-(methanesulfonamido)benzyl]thiourea Formula: C20H26FN3O2S2 MolecularWeight: 423.567743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

InChI

InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-6-5-7-15(16)13-23-19(27)22-12-14-9-10-18(17(21)11-14)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)