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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(3-hydroxy-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(3-hydroxy-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(3-hydroxy-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(3-hydroxy-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C16H16FN3O3S MolecularWeight: 349.379943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C=C(C1=O)O

Isomeric SMILES

COC1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C=C(C1=O)O

InChI

InChI=1S/C16H16FN3O3S/c1-23-14-7-11(6-13(21)15(14)22)9-19-20-16(24)18-8-10-2-4-12(17)5-3-10/h2-7,9,19,21H,8H2,1H3,(H2,18,20,24)