1-(4-chloranyl-1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-(4-chloranyl-1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(4-chloro-1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(4-chloro-1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(4-chloro-1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(4-chloro-1,2-benzothiazol-7-yl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C16H11ClF3N3OS MolecularWeight: 385.79125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NC2=C3C(=C(C=C2)Cl)C=NS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)NC2=C3C(=C(C=C2)Cl)C=NS3)C(F)(F)F

InChI

InChI=1S/C16H11ClF3N3OS/c17-12-5-6-13(14-11(12)8-22-25-14)23-15(24)21-7-9-1-3-10(4-2-9)16(18,19)20/h1-6,8H,7H2,(H2,21,23,24)