2-[[(4Z)-4-[(2-azanylpyridin-3-yl)methylidene]-6-phenyl-cyclohexa-1,5-dien-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(4Z)-4-[(2-azanylpyridin-3-yl)methylidene]-6-phenyl-cyclohexa-1,5-dien-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(4Z)-4-[(2-amino-3-pyridyl)methylene]-6-phenyl-cyclohexa-1,5-diene-1-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(4Z)-4-[(2-amino-3-pyridinyl)methylidene]-6-phenyl-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(4Z)-4-[(2-aminopyridin-3-yl)methylidene]-6-phenylcyclohexa-1,5-diene-1-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(4Z)-4-[(2-amino-3-pyridyl)methylene]-6-phenyl-cyclohexa-1,5-diene-1-carbonyl]amino]-4-(methylthio)butyric acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CCC(=CC2=C(N=CC=C2)N)C=C1C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC/C(=C/C2=C(N=CC=C2)N)/C=C1C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O3S/c1-31-13-11-21(24(29)30)27-23(28)19-10-9-16(14-18-8-5-12-26-22(18)25)15-20(19)17-6-3-2-4-7-17/h2-8,10,12,14-15,21H,9,11,13H2,1H3,(H2,25,26)(H,27,28)(H,29,30)/b16-14-