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

Systemtic Name: 1-(1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(1,2-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(1,2-benzothiazol-7-yl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C16H12F3N3OS MolecularWeight: 351.34619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F)SN=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F)SN=C2

InChI

InChI=1S/C16H12F3N3OS/c17-16(18,19)12-6-4-10(5-7-12)8-20-15(23)22-13-3-1-2-11-9-21-24-14(11)13/h1-7,9H,8H2,(H2,20,22,23)