1-[(4-fluorophenyl)methyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiourea Formula: C18H20FN3O3S2 MolecularWeight: 409.498103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3S2/c19-14-5-3-13(4-6-14)12-20-18(26)21-16-11-15(7-8-17(16)23)27(24,25)22-9-1-2-10-22/h3-8,11,23H,1-2,9-10,12H2,(H2,20,21,26)