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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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