N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)C#N

Isomeric SMILES

COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C20H18N4O3S/c1-27-10-5-9-22-19(25)15(12-21)17-13-6-2-3-7-14(13)18(23-17)24-20(26)16-8-4-11-28-16/h2-4,6-8,11H,5,9-10H2,1H3,(H,22,25)(H,23,24,26)