1-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea

Systemtic Name: 1-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea Openeye Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea CAS Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea IUPAC Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea Traditional Name: 1-[3-fluoro-4-(methanesulfonamido)benzyl]-3-(4-iodobenzyl)thiourea Formula: C16H17FIN3O2S2 MolecularWeight: 493.357953

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)I)F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)I)F

InChI

InChI=1S/C16H17FIN3O2S2/c1-25(22,23)21-15-7-4-12(8-14(15)17)10-20-16(24)19-9-11-2-5-13(18)6-3-11/h2-8,21H,9-10H2,1H3,(H2,19,20,24)