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

Systemtic Name: 2-(3-methoxypropyl)-N-(3-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(3-methoxypropyl)-N-(3-methylsulfanylphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-N-[3-(methylthio)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(3-methoxypropyl)-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-methoxypropyl)-N-[3-(methylthio)phenyl]isoindoline-5-carboxamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H20N2O4S/c1-26-10-4-9-22-19(24)16-8-7-13(11-17(16)20(22)25)18(23)21-14-5-3-6-15(12-14)27-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,23)