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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiourea Formula: C18H14F6N2O4S MolecularWeight: 468.370179

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C18H14F6N2O4S/c19-17(20,21)7-27-12-3-11(4-13(6-12)28-8-18(22,23)24)26-16(31)25-10-1-2-14-15(5-10)30-9-29-14/h1-6H,7-9H2,(H2,25,26,31)