3-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]-1,1-diethyl-urea

Systemtic Name: 3-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]-1,1-diethyl-urea Openeye Name: 3-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]-1,1-diethyl-urea CAS Name: 3-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]-1,1-diethylurea IUPAC Name: 3-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]-1,1-diethylurea Traditional Name: 3-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]-1,1-diethyl-urea Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)OC2=CC3=C(C=C2)SN=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)OC2=CC3=C(C=C2)SN=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c1-3-25(4-2)18(26)24-13-5-7-16(15(10-13)19(20,21)22)27-14-6-8-17-12(9-14)11-23-28-17/h5-11H,3-4H2,1-2H3,(H,24,26)