1-[6-bromanyl-7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-bromanyl-7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-bromo-7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-bromo-7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-bromo-7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-(6-bromo-7-triflyl-1,3-benzothiazol-2-yl)-3-ethyl-urea Formula: C11H9BrF3N3O3S2 MolecularWeight: 432.23667

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)Br)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)Br)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H9BrF3N3O3S2/c1-2-16-9(19)18-10-17-6-4-3-5(12)8(7(6)22-10)23(20,21)11(13,14)15/h3-4H,2H2,1H3,(H2,16,17,18,19)