1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C16H9F3N4O5S MolecularWeight: 426.32667

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9F3N4O5S/c17-15(18,19)16(27-10-3-1-2-4-11(10)28-16)22-13(24)21-14-20-9-6-5-8(23(25)26)7-12(9)29-14/h1-7H,(H2,20,21,22,24)