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

Systemtic Name: 5-chloranyl-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-oxidanylidene-1H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-oxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-oxo-1H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-3-oxo-1H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-[4-(cyanomethyl)benzyl]-3-keto-isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1C2=C(C(=CC=C2)NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C22H16ClN3O2S/c23-19-9-8-18(29-19)21(27)25-17-3-1-2-16-13-26(22(28)20(16)17)12-15-6-4-14(5-7-15)10-11-24/h1-9H,10,12-13H2,(H,25,27)