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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(6-keto-3-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(=CNNC(=S)NCC2=CC=C(C=C2)F)C(=O)C=C1

Isomeric SMILES

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

InChI

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