5-chloranyl-N-[1-oxidanylidene-2-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[1-oxidanylidene-2-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[1-oxo-2-[[3-[(2-pyridylamino)methyl]phenyl]methyl]isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[1-oxo-2-[[3-[(2-pyridinylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[1-oxo-2-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[1-keto-2-[3-[(2-pyridylamino)methyl]benzyl]isoindolin-4-yl]thiophene-2-carboxamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CNC5=CC=CC=N5

Isomeric SMILES

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CNC5=CC=CC=N5

InChI

InChI=1S/C26H21ClN4O2S/c27-23-11-10-22(34-23)25(32)30-21-8-4-7-19-20(21)16-31(26(19)33)15-18-6-3-5-17(13-18)14-29-24-9-1-2-12-28-24/h1-13H,14-16H2,(H,28,29)(H,30,32)