1-[(4-tert-butylphenyl)methyl]-3-[2-fluoranyl-4-[(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylsulfamoyl]phenyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-fluoranyl-4-[(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylsulfamoyl]phenyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-fluoro-4-[(4-hydroxy-2-iodo-5-methoxy-phenyl)methylsulfamoyl]phenyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-fluoro-4-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylsulfamoyl]phenyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-fluoro-4-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylsulfamoyl]phenyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[2-fluoro-4-[(4-hydroxy-2-iodo-5-methoxy-benzyl)sulfamoyl]phenyl]thiourea Formula: C26H29FIN3O4S2 MolecularWeight: 657.559033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=C(C=C3I)O)OC)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=C(C=C3I)O)OC)F

InChI

InChI=1S/C26H29FIN3O4S2/c1-26(2,3)18-7-5-16(6-8-18)14-29-25(36)31-22-10-9-19(12-20(22)27)37(33,34)30-15-17-11-24(35-4)23(32)13-21(17)28/h5-13,30,32H,14-15H2,1-4H3,(H2,29,31,36)