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

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-methylbenzyl)thiourea Formula: C19H18F6N2O2S MolecularWeight: 452.413839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F6N2O2S/c1-12-2-4-13(5-3-12)9-26-17(30)27-14-6-15(28-10-18(20,21)22)8-16(7-14)29-11-19(23,24)25/h2-8H,9-11H2,1H3,(H2,26,27,30)