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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-bromophenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-bromophenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-bromobenzyl)-3-[3-fluoro-4-(methanesulfonamido)benzyl]thiourea Formula: C16H17BrFN3O2S2 MolecularWeight: 446.357483

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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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrFN3O2S2/c1-25(22,23)21-15-7-4-12(8-14(15)18)10-20-16(24)19-9-11-2-5-13(17)6-3-11/h2-8,21H,9-10H2,1H3,(H2,19,20,24)