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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(pyridin-3-ylsulfanylcarbothioylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(3-pyridylsulfanylcarbothioylamino)methyl]benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[[[(3-pyridinylthio)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(pyridin-3-ylsulfanylcarbothioylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[[(3-pyridylthio)carbothioylamino]methyl]benzoyl]amino]butyric acid Formula: C25H25N3O3S3 MolecularWeight: 511.6793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S3/c1-33-13-11-22(24(30)31)28-23(29)20-10-9-17(14-21(20)18-6-3-2-4-7-18)15-27-25(32)34-19-8-5-12-26-16-19/h2-10,12,14,16,22H,11,13,15H2,1H3,(H,27,32)(H,28,29)(H,30,31)