1-(4-fluorophenyl)-3-[[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[[(Z)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]thiourea CAS Name: 1-(4-fluorophenyl)-3-[[(Z)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[[(Z)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]thiourea Formula: C14H12FN3O2S2 MolecularWeight: 337.392383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=C2C=CC(=O)C=C2O)S)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NN/C(=C/2\C=CC(=O)C=C2O)/S)F

InChI

InChI=1S/C14H12FN3O2S2/c15-8-1-3-9(4-2-8)16-14(22)18-17-13(21)11-6-5-10(19)7-12(11)20/h1-7,17,20-21H,(H2,16,18,22)/b13-11-