1-(4-fluorophenyl)-3-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)ethanoylamino]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[[2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)acetyl]amino]thiourea CAS Name: 1-(4-fluorophenyl)-3-[[1-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethyl]amino]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[[2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetyl]amino]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[[2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acetyl]amino]thiourea Formula: C13H12FN5O2S2 MolecularWeight: 353.395083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=O)CC2=CC(=O)NC(=S)N2)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC(=O)CC2=CC(=O)NC(=S)N2)F

InChI

InChI=1S/C13H12FN5O2S2/c14-7-1-3-8(4-2-7)15-13(23)19-18-11(21)6-9-5-10(20)17-12(22)16-9/h1-5H,6H2,(H,18,21)(H2,15,19,23)(H2,16,17,20,22)