3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]azepan-2-one Openeye Name: 3-[1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethylamino]azepan-2-one CAS Name: 3-[1-(2-tert-butyl-4-methyl-5-thiazolyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethylamino]azepan-2-one Formula: C16H27N3OS MolecularWeight: 309.47008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C)(C)C)C(C)NC2CCCCNC2=O

Isomeric SMILES

CC1=C(SC(=N1)C(C)(C)C)C(C)NC2CCCCNC2=O

InChI

InChI=1S/C16H27N3OS/c1-10(18-12-8-6-7-9-17-14(12)20)13-11(2)19-15(21-13)16(3,4)5/h10,12,18H,6-9H2,1-5H3,(H,17,20)