1-[(4-fluorophenyl)methyl]-3-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C15H14FN3O2S MolecularWeight: 319.353963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C(=O)C(=C1)O

Isomeric SMILES

C1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C(=O)C(=C1)O

InChI

InChI=1S/C15H14FN3O2S/c16-12-6-4-10(5-7-12)8-17-15(22)19-18-9-11-2-1-3-13(20)14(11)21/h1-7,9,18,20H,8H2,(H2,17,19,22)