N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[3-[1-cyano-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C25H20N4O3S/c1-32-17-10-8-16(9-11-17)12-13-27-24(30)20(15-26)22-18-5-2-3-6-19(18)23(28-22)29-25(31)21-7-4-14-33-21/h2-11,14H,12-13H2,1H3,(H,27,30)(H,28,29,31)