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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-keto-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N

InChI

InChI=1S/C22H20N4O2S/c23-13-17(21(27)24-14-7-2-1-3-8-14)19-15-9-4-5-10-16(15)20(25-19)26-22(28)18-11-6-12-29-18/h4-6,9-12,14H,1-3,7-8H2,(H,24,27)(H,25,26,28)/b19-17-