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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C16H16FN3O2S MolecularWeight: 333.380543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN3O2S/c1-22-14-4-2-3-12(15(14)21)10-19-20-16(23)18-9-11-5-7-13(17)8-6-11/h2-8,10,19H,9H2,1H3,(H2,18,20,23)