<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350543</id>
  <title nil="true"/>
  <common-name>N-[(e)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[(e)-[3-[(2-ethylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide</common-name>
  <description>N-[(e)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[(e)-[3-[(2-ethylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a chemical compound with the formula C30H30N4O5S2. With an average molecular weight of 590.70 g/mol, N-[(e)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[(e)-[3-[(2-ethylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a heavy molecule.</description>
  <cas>139207-45-7</cas>
  <pubchem-id>9588720</pubchem-id>
  <chemical-formula>C30H30N4O5S2</chemical-formula>
  <weight>590.7</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T15:40:35Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:40:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC1=CC=CC=C1NCN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NN=CC4=CC(=C(C=C4)OC)OC)SC2=S</moldb-smiles>
  <moldb-formula>C30H30N4O5S2</moldb-formula>
  <moldb-inchi>InChI=1S/C30H30N4O5S2/c1-4-22-7-5-6-8-24(22)31-19-34-29(36)27(41-30(34)40)16-20-9-12-23(13-10-20)39-18-28(35)33-32-17-21-11-14-25(37-2)26(15-21)38-3/h5-17,31H,4,18-19H2,1-3H3,(H,33,35)/b27-16+,32-17+</moldb-inchi>
  <moldb-inchikey>PMGWXBNAPUSTNX-UTPQEOGGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">590.1657624</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM346436</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>N-[(e)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[(e)-[3-[(2-ethylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Methoxybenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300848</sync-id>
  <structure-inchikey>PMGWXBNAPUSTNX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400040000000008002420000000008000000000000800001000000004000004040820004222000000000000000000000000000000000000000000000000000000000000000000800000000000000200000100003000002040000080000000000000100000000400001801100000000000801001000000000000000000010000000400000008000000000000080900000000001000000c0000400000000000000000000000014000000080000000080000020080000000000000400000080000000000000040000000000400000000000008000040000000200000400000100000008000000001048010000800400000000000020000000080000004008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAApAAAALAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:32Z</structure-indexed-at>
</compound>
