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

Systemtic Name: N-[3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[3-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[3-[2-(benzylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O2S/c24-13-18(22(28)25-14-15-7-2-1-3-8-15)20-16-9-4-5-10-17(16)21(26-20)27-23(29)19-11-6-12-30-19/h1-12H,14H2,(H,25,28)(H,26,27,29)