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

Systemtic Name: tert-butyl 4-[4-[(2-oxidanylideneazepan-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-oxoazepan-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[(2-oxo-3-azepanyl)amino]methyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-oxoazepan-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-ketoazepan-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C20H30N4O4S/c1-20(2,3)28-19(27)24-10-7-13(8-11-24)18-23-15(12-29-18)17(26)22-14-6-4-5-9-21-16(14)25/h12-14H,4-11H2,1-3H3,(H,21,25)(H,22,26)