2-(5-methylsulfanyl-3-oxidanylidene-1H-isoindol-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(5-methylsulfanyl-3-oxidanylidene-1H-isoindol-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(6-methylsulfanyl-1-oxo-isoindolin-2-yl)-N-(4-piperazin-1-yl-3-pyridyl)thiazole-4-carboxamide CAS Name: 2-[5-(methylthio)-3-oxo-1H-isoindol-2-yl]-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide IUPAC Name: 2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-keto-6-(methylthio)isoindolin-2-yl]-N-(4-piperazino-3-pyridyl)thiazole-4-carboxamide Formula: C22H22N6O2S2 MolecularWeight: 466.57908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(CN(C2=O)C3=NC(=CS3)C(=O)NC4=C(C=CN=C4)N5CCNCC5)C=C1

Isomeric SMILES

CSC1=CC2=C(CN(C2=O)C3=NC(=CS3)C(=O)NC4=C(C=CN=C4)N5CCNCC5)C=C1

InChI

InChI=1S/C22H22N6O2S2/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29)