1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea

Systemtic Name: 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea Openeye Name: 1-(2-fluorophenyl)-3-[5-[(2-sec-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea IUPAC Name: 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea Traditional Name: 1-(2-fluorophenyl)-3-[5-[(2-sec-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea Formula: C20H21FN4O2S MolecularWeight: 400.469743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4O2S/c1-3-13(2)14-8-4-7-11-17(14)27-12-18-24-25-20(28-18)23-19(26)22-16-10-6-5-9-15(16)21/h4-11,13H,3,12H2,1-2H3,(H2,22,23,25,26)