N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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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=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H18FN3O3S/c1-11(2)7-8-25-19(27)14-5-3-12(9-15(14)20(25)28)18(26)24-21-23-16-6-4-13(22)10-17(16)29-21/h3-6,9-11H,7-8H2,1-2H3,(H,23,24,26)