3-[[(4-fluorophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(4-fluorophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: 3-[[(4-fluorophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[2-[(4-fluorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(4-fluorophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(4-fluorobenzylidene)amino]thiocarbamoylamino]benzoate Formula: C15H11FN3O2S- MolecularWeight: 316.330143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NN=CC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NN=CC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C15H12FN3O2S/c16-12-6-4-10(5-7-12)9-17-19-15(22)18-13-3-1-2-11(8-13)14(20)21/h1-9H,(H,20,21)(H2,18,19,22)/p-1