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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N

InChI

InChI=1S/C24H18N4O2S/c1-15(16-8-3-2-4-9-16)26-23(29)19(14-25)21-17-10-5-6-11-18(17)22(27-21)28-24(30)20-12-7-13-31-20/h2-13,15H,1H3,(H,26,29)(H,27,28,30)/b21-19-