4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N5-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N5-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-1-(4-pyridyl)ethyl]-N5-(4-fluorophenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N5-(4-fluorophenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-butylamino)-2-keto-1-(4-pyridyl)ethyl]-N'-(4-fluorophenyl)isothiazole-3,5-dicarboxamide Formula: C22H23FN6O3S MolecularWeight: 470.519823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC=C(C=C2)F)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C22H23FN6O3S/c1-22(2,3)27-20(31)17(12-8-10-26-11-9-12)29(14-6-4-13(23)5-7-14)21(32)18-15(24)16(19(25)30)28-33-18/h4-11,17H,24H2,1-3H3,(H2,25,30)(H,27,31)