N-tert-butyl-5,5-dimethyl-3-(2-oxidanyl-3-phenyl-butanoyl)-1,3-thiazolidine-4-carboxamide; 2-isoquinolin-5-yloxyethanamide; 2-methylsulfanylpropanamide

Systemtic Name: N-tert-butyl-5,5-dimethyl-3-(2-oxidanyl-3-phenyl-butanoyl)-1,3-thiazolidine-4-carboxamide; 2-isoquinolin-5-yloxyethanamide; 2-methylsulfanylpropanamide Openeye Name: N-tert-butyl-3-(2-hydroxy-3-phenyl-butanoyl)-5,5-dimethyl-thiazolidine-4-carboxamide; 2-(5-isoquinolyloxy)acetamide; 2-methylsulfanylpropanamide CAS Name: N-tert-butyl-3-(2-hydroxy-1-oxo-3-phenylbutyl)-5,5-dimethyl-4-thiazolidinecarboxamide; 2-(5-isoquinolinyloxy)acetamide; 2-(methylthio)propanamide IUPAC Name: N-tert-butyl-3-(2-hydroxy-3-phenylbutanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide; 2-isoquinolin-5-yloxyacetamide; 2-methylsulfanylpropanamide Traditional Name: N-tert-butyl-3-(2-hydroxy-3-phenyl-butanoyl)-5,5-dimethyl-thiazolidine-4-carboxamide; 2-(5-isoquinolyloxy)acetamide; 2-(methylthio)propionamide Formula: C35H49N5O6S2 MolecularWeight: 699.92346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)NC(C)(C)C)(C)C)O.CC(C(=O)N)SC.C1=CC2=C(C=CN=C2)C(=C1)OCC(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)NC(C)(C)C)(C)C)O.CC(C(=O)N)SC.C1=CC2=C(C=CN=C2)C(=C1)OCC(=O)N

InChI

InChI=1S/C20H30N2O3S.C11H10N2O2.C4H9NOS/c1-13(14-10-8-7-9-11-14)15(23)18(25)22-12-26-20(5,6)16(22)17(24)21-19(2,3)4;12-11(14)7-15-10-3-1-2-8-6-13-5-4-9(8)10;1-3(7-2)4(5)6/h7-11,13,15-16,23H,12H2,1-6H3,(H,21,24);1-6H,7H2,(H2,12,14);3H,1-2H3,(H2,5,6)