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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)ethanoylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)acetyl]amino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[1-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetyl]amino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[[2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acetyl]amino]thiourea Formula: C14H14FN5O2S2 MolecularWeight: 367.421663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NNC(=O)CC2=CC(=O)NC(=S)N2)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NNC(=O)CC2=CC(=O)NC(=S)N2)F

InChI

InChI=1S/C14H14FN5O2S2/c15-9-3-1-8(2-4-9)7-16-13(23)20-19-12(22)6-10-5-11(21)18-14(24)17-10/h1-5H,6-7H2,(H,19,22)(H2,16,20,23)(H2,17,18,21,24)