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

Systemtic Name: 1-[(E)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butan-2-ylideneamino]urea Openeye Name: [(E)-[1-methyl-3-(2-thioxo-1,3-benzothiazol-3-yl)propylidene]amino]urea CAS Name: [(E)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butan-2-ylideneamino]urea IUPAC Name: [(E)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butan-2-ylideneamino]urea Traditional Name: [(E)-[1-methyl-3-(2-thioxo-1,3-benzothiazol-3-yl)propylidene]amino]urea Formula: C12H14N4OS2 MolecularWeight: 294.39576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)CCN1C2=CC=CC=C2SC1=S

Isomeric SMILES

C/C(=N\NC(=O)N)/CCN1C2=CC=CC=C2SC1=S

InChI

InChI=1S/C12H14N4OS2/c1-8(14-15-11(13)17)6-7-16-9-4-2-3-5-10(9)19-12(16)18/h2-5H,6-7H2,1H3,(H3,13,15,17)/b14-8+