CHEBI:109581 - 3-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid
ChEBI ID CHEBI:109581
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H12Cl2N2O2S
Net Charge 0
Average Mass 355.241
Monoisotopic Mass 353.99965
InChI InChI=1S/C15H12Cl2N2O2S/c1-8-2-3-9(14(20)21)6-13(8)19-15(22)18-12-5-4-10(16)7-11(12)17/h2-7H,1H3,(H,20,21)(H2,18,19,22)
InChIKey HXPZIFSWLLXYFM-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl
ChEBI Ontology
Outgoing 3-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid (CHEBI:109581) is a thioureas (CHEBI:51276)
Manual Xref Database
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