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

Systemtic Name: 2-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-(6-nitro-1,3-benzothiazol-2-yl)isoindoline-5-carboxamide Formula: C20H16N4O5S MolecularWeight: 424.42984

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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)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S/c1-2-3-8-23-18(26)13-6-4-11(9-14(13)19(23)27)17(25)22-20-21-15-7-5-12(24(28)29)10-16(15)30-20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22,25)