tert-butyl 3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-(2-methylthiazol-4-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[3-(2-methyl-4-thiazolyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[3-(2-methylthiazol-4-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O3S/c1-14-22-18(13-28-14)15-7-5-9-17(11-15)23-19(25)16-8-6-10-24(12-16)20(26)27-21(2,3)4/h5,7,9,11,13,16H,6,8,10,12H2,1-4H3,(H,23,25)