1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3S/c1-9-5-4-8-12-13(9)21-15(27-12)22-14(24)23-17(16(18,19)20)25-10-6-2-3-7-11(10)26-17/h2-8H,1H3,(H2,21,22,23,24)