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

Systemtic Name: 2-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-(2-methyl-1,3-benzothiazol-6-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=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

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