1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-5-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-5-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)-5-vinyl-phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[3-fluoro-4-(methanesulfonamido)-5-vinyl-benzyl]thiourea Formula: C22H28FN3O2S2 MolecularWeight: 449.605023

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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)C=C)NS(=O)(=O)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O2S2/c1-6-17-11-16(12-19(23)20(17)26-30(5,27)28)14-25-21(29)24-13-15-7-9-18(10-8-15)22(2,3)4/h6-12,26H,1,13-14H2,2-5H3,(H2,24,25,29)