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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-13(2)9-10-23-20(26)16(12-22)18-14-6-3-4-7-15(14)19(24-18)25-21(27)17-8-5-11-28-17/h3-8,11,13H,9-10H2,1-2H3,(H,23,26)(H,24,25,27)/b18-16-