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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(cyclopentylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(cyclopentylamino)-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-(cyclopentylamino)-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(cyclopentylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(cyclopentylamino)-2-keto-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)/C#N

InChI

InChI=1S/C21H18N4O2S/c22-12-16(20(26)23-13-6-1-2-7-13)18-14-8-3-4-9-15(14)19(24-18)25-21(27)17-10-5-11-28-17/h3-5,8-11,13H,1-2,6-7H2,(H,23,26)(H,24,25,27)/b18-16-