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

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chloro-4-methylphenyl)thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C18H15ClF6N2O2S MolecularWeight: 472.832319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF6N2O2S/c1-10-2-3-11(6-15(10)19)26-16(30)27-12-4-13(28-8-17(20,21)22)7-14(5-12)29-9-18(23,24)25/h2-7H,8-9H2,1H3,(H2,26,27,30)