(3S)-3,5,5-trimethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide

Systemtic Name: (3S)-3,5,5-trimethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide Openeye Name: (3S)-3,5,5-trimethyl-N-[3-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]hexanamide CAS Name: (3S)-3,5,5-trimethyl-N-[3-[2-(1-pyrrolidinyl)-4-thiazolyl]phenyl]hexanamide IUPAC Name: (3S)-3,5,5-trimethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide Traditional Name: (3S)-3,5,5-trimethyl-N-[3-(2-pyrrolidinothiazol-4-yl)phenyl]hexanamide Formula: C22H31N3OS MolecularWeight: 385.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)N3CCCC3)CC(C)(C)C

Isomeric SMILES

C[C@H](CC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)N3CCCC3)CC(C)(C)C

InChI

InChI=1S/C22H31N3OS/c1-16(14-22(2,3)4)12-20(26)23-18-9-7-8-17(13-18)19-15-27-21(24-19)25-10-5-6-11-25/h7-9,13,15-16H,5-6,10-12,14H2,1-4H3,(H,23,26)/t16-/m1/s1