4-[[[(Z)-[5-(4-fluorophenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]amino]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[[(Z)-[5-(4-fluorophenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 4-[[[(Z)-[5-(4-fluorophenyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methyl]amino]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(Z)-[5-(4-fluorophenyl)-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[[(Z)-[5-(4-fluorophenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 4-[[[(Z)-[5-(4-fluorophenyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]methyl]amino]thiocarbamoylamino]benzoic acid Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNNC(=S)NC2=CC=C(C=C2)C(=O)O)C(=O)C(=C1)C3=CC=C(C=C3)F

Isomeric SMILES

C1=C/C(=C/NNC(=S)NC2=CC=C(C=C2)C(=O)O)/C(=O)C(=C1)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FN3O3S/c22-16-8-4-13(5-9-16)18-3-1-2-15(19(18)26)12-23-25-21(29)24-17-10-6-14(7-11-17)20(27)28/h1-12,23H,(H,27,28)(H2,24,25,29)/b15-12-