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

Systemtic Name: 1-ethyl-3-[7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[7-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-(7-triflyl-1,3-benzothiazol-2-yl)urea Formula: C11H10F3N3O3S2 MolecularWeight: 353.34061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3N3O3S2/c1-2-15-9(18)17-10-16-6-4-3-5-7(8(6)21-10)22(19,20)11(12,13)14/h3-5H,2H2,1H3,(H2,15,16,17,18)