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

Systemtic Name: 1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-homoveratryl-thiourea Formula: C21H22F6N2O4S MolecularWeight: 512.465799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F6N2O4S/c1-30-17-4-3-13(7-18(17)31-2)5-6-28-19(34)29-14-8-15(32-11-20(22,23)24)10-16(9-14)33-12-21(25,26)27/h3-4,7-10H,5-6,11-12H2,1-2H3,(H2,28,29,34)