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

Systemtic Name: 2-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C22H21N3O4S/c1-3-5-10-25-20(27)15-8-6-13(11-16(15)21(25)28)19(26)24-22-23-17-9-7-14(29-4-2)12-18(17)30-22/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24,26)