1-[(E)-4-(1,3-benzothiazol-2-yl)butan-2-ylideneamino]urea

Systemtic Name: 1-[(E)-4-(1,3-benzothiazol-2-yl)butan-2-ylideneamino]urea Openeye Name: [(E)-[3-(1,3-benzothiazol-2-yl)-1-methyl-propylidene]amino]urea CAS Name: [(E)-4-(1,3-benzothiazol-2-yl)butan-2-ylideneamino]urea IUPAC Name: [(E)-4-(1,3-benzothiazol-2-yl)butan-2-ylideneamino]urea Traditional Name: [(E)-[3-(1,3-benzothiazol-2-yl)-1-methyl-propylidene]amino]urea Formula: C12H14N4OS MolecularWeight: 262.33076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C/C(=N\NC(=O)N)/CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H14N4OS/c1-8(15-16-12(13)17)6-7-11-14-9-4-2-3-5-10(9)18-11/h2-5H,6-7H2,1H3,(H3,13,16,17)/b15-8+