2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: 2-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazinyl]-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: 2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazino]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C22H31FN4OS MolecularWeight: 418.571143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CSC(=N3)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CSC(=N3)C(C)(C)C)F

InChI

InChI=1S/C22H31FN4OS/c1-15-6-7-17(12-19(15)23)24-20(28)16(2)27-10-8-26(9-11-27)13-18-14-29-21(25-18)22(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3,(H,24,28)