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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O4S/c1-28-10-4-9-24-20(26)14-8-7-13(11-15(14)21(24)27)19(25)22-12-18-23-16-5-2-3-6-17(16)29-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,25)