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

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C15H9F3N4O3S MolecularWeight: 382.31717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H9F3N4O3S/c16-15(17,18)8-2-1-3-9(6-8)19-13(23)21-14-20-11-5-4-10(22(24)25)7-12(11)26-14/h1-7H,(H2,19,20,21,23)