(3E)-1-methoxy-3-[3-(2-methylpropyl)-1,3-benzothiazol-2-ylidene]urea

Systemtic Name: (3E)-1-methoxy-3-[3-(2-methylpropyl)-1,3-benzothiazol-2-ylidene]urea Openeye Name: (1E)-1-(3-isobutyl-1,3-benzothiazol-2-ylidene)-3-methoxy-urea CAS Name: (3E)-1-methoxy-3-[3-(2-methylpropyl)-1,3-benzothiazol-2-ylidene]urea IUPAC Name: (3E)-1-methoxy-3-[3-(2-methylpropyl)-1,3-benzothiazol-2-ylidene]urea Traditional Name: (1E)-1-(3-isobutyl-1,3-benzothiazol-2-ylidene)-3-methoxy-urea Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2SC1=NC(=O)NOC

Isomeric SMILES

CC(C)CN\1C2=CC=CC=C2S/C1=N/C(=O)NOC

InChI

InChI=1S/C13H17N3O2S/c1-9(2)8-16-10-6-4-5-7-11(10)19-13(16)14-12(17)15-18-3/h4-7,9H,8H2,1-3H3,(H,15,17)/b14-13+