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

Systemtic Name: N-tert-butyl-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)thiazolidine-4-carboxamide; 2-(5-isoquinolyloxy)acetamide; 2-methylsulfanylpropanamide CAS Name: N-tert-butyl-3-(2-hydroxy-1-oxo-3-phenylbutyl)-4-thiazolidinecarboxamide; 2-(5-isoquinolinyloxy)acetamide; 2-(methylthio)propanamide IUPAC Name: N-tert-butyl-3-(2-hydroxy-3-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide; 2-isoquinolin-5-yloxyacetamide; 2-methylsulfanylpropanamide Traditional Name: N-tert-butyl-3-(2-hydroxy-3-phenyl-butanoyl)thiazolidine-4-carboxamide; 2-(5-isoquinolyloxy)acetamide; 2-(methylthio)propionamide Formula: C33H45N5O6S2 MolecularWeight: 671.8703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C(=O)N2CSCC2C(=O)NC(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)N2CSCC2C(=O)NC(C)(C)C)O.CC(C(=O)N)SC.C1=CC2=C(C=CN=C2)C(=C1)OCC(=O)N

InChI

InChI=1S/C18H26N2O3S.C11H10N2O2.C4H9NOS/c1-12(13-8-6-5-7-9-13)15(21)17(23)20-11-24-10-14(20)16(22)19-18(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/h5-9,12,14-15,21H,10-11H2,1-4H3,(H,19,22);1-6H,7H2,(H2,12,14);3H,1-2H3,(H2,5,6)