1-(3-chloranyl-4-fluoranyl-phenyl)-3-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]thiourea Formula: C21H26ClFN4O2S2 MolecularWeight: 485.038143

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H26ClFN4O2S2/c1-3-27(4-2)31(28,29)16-8-10-20(26-11-5-6-12-26)19(14-16)25-21(30)24-15-7-9-18(23)17(22)13-15/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,24,25,30)