1-(2-methyl-1,3-benzothiazol-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C17H14F3N3OS MolecularWeight: 365.37277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3OS/c1-10-22-14-8-13(6-7-15(14)25-10)23-16(24)21-9-11-2-4-12(5-3-11)17(18,19)20/h2-8H,9H2,1H3,(H2,21,23,24)