N-isoquinolin-5-yl-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-isoquinolin-5-yl-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(5-isoquinolyl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(5-isoquinolinyl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-isoquinolin-5-yl-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(5-isoquinolyl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19N3O2S/c1-27-17-7-5-16(6-8-17)24-13-15(11-20(24)25)21(26)23-19-4-2-3-14-12-22-10-9-18(14)19/h2-10,12,15H,11,13H2,1H3,(H,23,26)