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

Systemtic Name: 1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C16H12F3N3OS2 MolecularWeight: 383.41119

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS2/c1-24-11-7-4-8-12-13(11)21-15(25-12)22-14(23)20-10-6-3-2-5-9(10)16(17,18)19/h2-8H,1H3,(H2,20,21,22,23)