tert-butyl 4-[phenethyl(1,3-thiazol-2-yl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[phenethyl(1,3-thiazol-2-yl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[phenethyl(thiazol-2-yl)amino]piperidine-1-carboxylate CAS Name: 4-[phenethyl(2-thiazolyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[phenethyl(1,3-thiazol-2-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[phenethyl(thiazol-2-yl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CCC2=CC=CC=C2)C3=NC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CCC2=CC=CC=C2)C3=NC=CS3

InChI

InChI=1S/C21H29N3O2S/c1-21(2,3)26-20(25)23-13-10-18(11-14-23)24(19-22-12-16-27-19)15-9-17-7-5-4-6-8-17/h4-8,12,16,18H,9-11,13-15H2,1-3H3