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

Systemtic Name: 1-[(2-butoxy-4-tert-butyl-phenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(2-butoxy-4-tert-butyl-phenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(2-butoxy-4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(2-butoxy-4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(2-butoxy-4-tert-butyl-benzyl)-3-[3-fluoro-4-(methanesulfonamido)benzyl]thiourea Formula: C24H34FN3O3S2 MolecularWeight: 495.673463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

InChI

InChI=1S/C24H34FN3O3S2/c1-6-7-12-31-22-14-19(24(2,3)4)10-9-18(22)16-27-23(32)26-15-17-8-11-21(20(25)13-17)28-33(5,29)30/h8-11,13-14,28H,6-7,12,15-16H2,1-5H3,(H2,26,27,32)