4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylcarbothioylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylcarbothioylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfanylcarbothioylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[[(3-pyridinylthio)-sulfanylidenemethyl]amino]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylcarbothioylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(3-pyridylthio)carbothioylamino]benzoyl]amino]butyric acid Formula: C24H23N3O3S3 MolecularWeight: 497.65272

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=S)SC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=S)SC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O3S3/c1-32-13-11-21(23(29)30)27-22(28)19-10-9-17(14-20(19)16-6-3-2-4-7-16)26-24(31)33-18-8-5-12-25-15-18/h2-10,12,14-15,21H,11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)