1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-fluorophenyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-(2-fluorophenyl)thiourea Formula: C21H27FN4O2S2 MolecularWeight: 450.593083

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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=CC=C3F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C21H27FN4O2S2/c1-3-26(4-2)30(27,28)16-11-12-20(25-13-7-8-14-25)19(15-16)24-21(29)23-18-10-6-5-9-17(18)22/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H2,23,24,29)