1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-bromo-2-chlorophenyl)thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C23H25BrClN3O2S2 MolecularWeight: 554.9505

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=S)NC5=C(C=C(C=C5)Br)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=S)NC5=C(C=C(C=C5)Br)Cl

InChI

InChI=1S/C23H25BrClN3O2S2/c24-17-1-6-21(20(25)10-17)27-22(31)26-18-2-4-19(5-3-18)32(29,30)28-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16,28H,7-9,11-13H2,(H2,26,27,31)