N-(1,3-benzothiazol-2-yl)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-6-(1,3-dioxoisoindolin-2-yl)hexanamide CAS Name: N-(1,3-benzothiazol-2-yl)-6-(1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-6-phthalimido-hexanamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S/c25-18(23-21-22-16-10-5-6-11-17(16)28-21)12-2-1-7-13-24-19(26)14-8-3-4-9-15(14)20(24)27/h3-6,8-11H,1-2,7,12-13H2,(H,22,23,25)