1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(p-tolyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(p-tolyl)thiourea Formula: C18H16F6N2O2S MolecularWeight: 438.387259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C18H16F6N2O2S/c1-11-2-4-12(5-3-11)25-16(29)26-13-6-14(27-9-17(19,20)21)8-15(7-13)28-10-18(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26,29)