1-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiourea Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiourea CAS Name: 1-(4-bromo-2-fluorophenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(4-bromo-2-fluorophenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-3-[4-(p-phenetylsulfamoyl)phenyl]thiourea Formula: C21H19BrFN3O3S2 MolecularWeight: 524.426263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H19BrFN3O3S2/c1-2-29-17-8-4-16(5-9-17)26-31(27,28)18-10-6-15(7-11-18)24-21(30)25-20-12-3-14(22)13-19(20)23/h3-13,26H,2H2,1H3,(H2,24,25,30)