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

Systemtic Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(6-mesyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C16H12F3N3O3S2 MolecularWeight: 415.40999

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S2/c1-27(24,25)9-6-7-12-13(8-9)26-15(21-12)22-14(23)20-11-5-3-2-4-10(11)16(17,18)19/h2-8H,1H3,(H2,20,21,22,23)