1-(4-chloranyl-3-fluoranyl-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(4-chloranyl-3-fluoranyl-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(4-chloro-3-fluoro-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(4-chloro-3-fluorophenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-chloro-3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-chloro-3-fluoro-phenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C17H17ClFN3O2S2 MolecularWeight: 413.917183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C17H17ClFN3O2S2/c18-15-8-5-13(11-16(15)19)21-17(25)20-12-3-6-14(7-4-12)26(23,24)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H2,20,21,25)