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

Systemtic Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)/C#N

InChI

InChI=1S/C20H18N4O2S/c1-2-3-10-22-19(25)15(12-21)17-13-7-4-5-8-14(13)18(23-17)24-20(26)16-9-6-11-27-16/h4-9,11H,2-3,10H2,1H3,(H,22,25)(H,23,24,26)/b17-15-