1-(1,3-benzothiazol-2-yl)-3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-methoxy-propan-2-yl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-methoxy-propan-2-yl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea Formula: C12H9F6N3O2S MolecularWeight: 373.274179

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H9F6N3O2S/c1-23-10(11(13,14)15,12(16,17)18)21-8(22)20-9-19-6-4-2-3-5-7(6)24-9/h2-5H,1H3,(H2,19,20,21,22)