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

Systemtic Name: N-[3-(1-cyano-2-oxidanylidene-2-piperidin-1-yl-ethylidene)isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[3-[1-cyano-2-oxo-2-(1-piperidyl)ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[3-[1-cyano-2-oxo-2-(1-piperidinyl)ethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[3-(1-cyano-2-keto-2-piperidino-ethylidene)isoindol-1-yl]thiophene-2-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C21H18N4O2S/c22-13-16(21(27)25-10-4-1-5-11-25)18-14-7-2-3-8-15(14)19(23-18)24-20(26)17-9-6-12-28-17/h2-3,6-9,12H,1,4-5,10-11H2,(H,23,24,26)