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

Systemtic Name: 2-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-(4-methyl-1,3-benzothiazol-2-yl)isoindoline-5-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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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(C=CC=C4S3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C21H19N3O3S/c1-3-4-10-24-19(26)14-9-8-13(11-15(14)20(24)27)18(25)23-21-22-17-12(2)6-5-7-16(17)28-21/h5-9,11H,3-4,10H2,1-2H3,(H,22,23,25)