1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3,5-dimethoxyphenyl)thiourea Formula: C19H18F6N2O4S MolecularWeight: 484.412639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)OC

InChI

InChI=1S/C19H18F6N2O4S/c1-28-13-3-11(4-14(7-13)29-2)26-17(32)27-12-5-15(30-9-18(20,21)22)8-16(6-12)31-10-19(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,27,32)