2-[1-(2-azanylpyridin-4-yl)-3-(2-methylsulfanylethylamino)-2-oxidanylidene-propyl]sulfanyl-N-(4-tert-butylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[1-(2-azanylpyridin-4-yl)-3-(2-methylsulfanylethylamino)-2-oxidanylidene-propyl]sulfanyl-N-(4-tert-butylphenyl)pyridine-3-carboxamide Openeye Name: 2-[1-(2-amino-4-pyridyl)-3-(2-methylsulfanylethylamino)-2-oxo-propyl]sulfanyl-N-(4-tert-butylphenyl)pyridine-3-carboxamide CAS Name: 2-[[1-(2-amino-4-pyridinyl)-3-[2-(methylthio)ethylamino]-2-oxopropyl]thio]-N-(4-tert-butylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-aminopyridin-4-yl)-3-(2-methylsulfanylethylamino)-2-oxopropyl]sulfanyl-N-(4-tert-butylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[1-(2-amino-4-pyridyl)-2-keto-3-[2-(methylthio)ethylamino]propyl]thio]-N-(4-tert-butylphenyl)nicotinamide Formula: C27H33N5O2S2 MolecularWeight: 523.71322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC(=NC=C3)N)C(=O)CNCCSC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC(=NC=C3)N)C(=O)CNCCSC

InChI

InChI=1S/C27H33N5O2S2/c1-27(2,3)19-7-9-20(10-8-19)32-25(34)21-6-5-12-31-26(21)36-24(18-11-13-30-23(28)16-18)22(33)17-29-14-15-35-4/h5-13,16,24,29H,14-15,17H2,1-4H3,(H2,28,30)(H,32,34)