4-(2-azanylethylsulfanyl)-N-(6-tert-butylquinolin-3-yl)pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethylsulfanyl)-N-(6-tert-butylquinolin-3-yl)pyrrolidine-2-carboxamide Openeye Name: 4-(2-aminoethylsulfanyl)-N-(6-tert-butyl-3-quinolyl)pyrrolidine-2-carboxamide CAS Name: 4-(2-aminoethylthio)-N-(6-tert-butyl-3-quinolinyl)-2-pyrrolidinecarboxamide IUPAC Name: 4-(2-aminoethylsulfanyl)-N-(6-tert-butylquinolin-3-yl)pyrrolidine-2-carboxamide Traditional Name: 4-(2-aminoethylthio)-N-(6-tert-butyl-3-quinolyl)pyrrolidine-2-carboxamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=CN=C2C=C1)NC(=O)C3CC(CN3)SCCN

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=CN=C2C=C1)NC(=O)C3CC(CN3)SCCN

InChI

InChI=1S/C20H28N4OS/c1-20(2,3)14-4-5-17-13(8-14)9-15(11-22-17)24-19(25)18-10-16(12-23-18)26-7-6-21/h4-5,8-9,11,16,18,23H,6-7,10,12,21H2,1-3H3,(H,24,25)