5-bromanyl-N-[2-[[3-(cyanomethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[[3-(cyanomethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[2-[[3-(cyanomethyl)phenyl]methyl]-1-oxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[2-[[3-(cyanomethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[2-[[3-(cyanomethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[2-[3-(cyanomethyl)benzyl]-1-keto-isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Br)C(=O)N1CC4=CC=CC(=C4)CC#N

Isomeric SMILES

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Br)C(=O)N1CC4=CC=CC(=C4)CC#N

InChI

InChI=1S/C22H16BrN3O2S/c23-20-8-7-19(29-20)21(27)25-18-6-2-5-16-17(18)13-26(22(16)28)12-15-4-1-3-14(11-15)9-10-24/h1-8,11H,9,12-13H2,(H,25,27)