2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-methyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)isoindoline-5-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C21H18N4O4S/c1-24-19(27)14-4-2-12(10-15(14)20(24)28)18(26)22-13-3-5-16-17(11-13)30-21(23-16)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,22,26)