1-(1,2,3-benzothiadiazol-5-yl)-3-octyl-urea

Systemtic Name: 1-(1,2,3-benzothiadiazol-5-yl)-3-octyl-urea Openeye Name: 1-(1,2,3-benzothiadiazol-5-yl)-3-octyl-urea CAS Name: 1-(1,2,3-benzothiadiazol-5-yl)-3-octylurea IUPAC Name: 1-(1,2,3-benzothiadiazol-5-yl)-3-octylurea Traditional Name: 1-(1,2,3-benzothiadiazol-5-yl)-3-octyl-urea Formula: C15H22N4OS MolecularWeight: 306.42638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=CC2=C(C=C1)SN=N2

Isomeric SMILES

CCCCCCCCNC(=O)NC1=CC2=C(C=C1)SN=N2

InChI

InChI=1S/C15H22N4OS/c1-2-3-4-5-6-7-10-16-15(20)17-12-8-9-14-13(11-12)18-19-21-14/h8-9,11H,2-7,10H2,1H3,(H2,16,17,20)