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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(propylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(propylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S/c1-2-9-21-18(24)14(11-20)16-12-6-3-4-7-13(12)17(22-16)23-19(25)15-8-5-10-26-15/h3-8,10H,2,9H2,1H3,(H,21,24)(H,22,23,25)/b16-14-