<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338678</id>
  <title nil="true"/>
  <common-name>N-(3-bromophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide</common-name>
  <description>N-(3-bromophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide is a chemical compound with the formula C24H22BrN3O3S2. With an average molecular weight of 544.50 g/mol, N-(3-bromophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide is a heavy molecule.</description>
  <cas>618075-04-0</cas>
  <pubchem-id>5940950</pubchem-id>
  <chemical-formula>C24H22BrN3O3S2</chemical-formula>
  <weight>544.5</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">2026-08-30T21:49:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:49:05Z</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>CCCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)SC1=S</moldb-smiles>
  <moldb-formula>C24H22BrN3O3S2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22BrN3O3S2/c1-2-3-6-12-27-23(31)21(33-24(27)32)20-17-10-4-5-11-18(17)28(22(20)30)14-19(29)26-16-9-7-8-15(25)13-16/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,26,29)/b21-20-</moldb-inchi>
  <moldb-inchikey>ZHGKHTZYCZGXAZ-MRCUWXFGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">543.0286</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</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>CHEM334571</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-(3-bromophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289104</sync-id>
  <structure-inchikey>ZHGKHTZYCZGXAZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800040000000000000000000008100000000000000000000000002000020000000008000000000000000000000000000000004000000000000000000000000090000000000080020000010000001000000800000000200000020011000000000000000110004040400000100100000000080000000000001000040000000800000000000004080000000000100000000000000000080080100008000400000000000080000000000000028000002000000000000000000100000000000204001000100810000000000000000040000000200000000000000008000000000000040000000810600000000000010000100000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���$���€���`�������`�������`�������`�������`�������(�������(�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������(�������`�������(�������(�������h�������@(������@h�������@(������@h�������@h�������@h������#� ������ ������(�������(����������������������� ��(��� �	(�	
 
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	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:22Z</structure-indexed-at>
</compound>
