N-(1,3-benzothiazol-2-yl)-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O4S/c1-27-10-4-9-23-18(25)13-8-7-12(11-14(13)19(23)26)17(24)22-20-21-15-5-2-3-6-16(15)28-20/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,22,24)