2-(3-methylbutyl)-1,3-bis(oxidanylidene)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide

Systemtic Name: 2-(3-methylbutyl)-1,3-bis(oxidanylidene)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide Openeye Name: 2-isopentyl-1,3-dioxo-N-[4-(3-pyridyl)thiazol-2-yl]isoindoline-5-carboxamide CAS Name: 2-(3-methylbutyl)-1,3-dioxo-N-[4-(3-pyridinyl)-2-thiazolyl]-5-isoindolecarboxamide IUPAC Name: 2-(3-methylbutyl)-1,3-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide Traditional Name: 2-isoamyl-1,3-diketo-N-[4-(3-pyridyl)thiazol-2-yl]isoindoline-5-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CN=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-13(2)7-9-26-20(28)16-6-5-14(10-17(16)21(26)29)19(27)25-22-24-18(12-30-22)15-4-3-8-23-11-15/h3-6,8,10-13H,7,9H2,1-2H3,(H,24,25,27)