tert-butyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2H-benzotriazol-5-ylamino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2H-benzotriazol-5-ylcarbamoyl)thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H24N6O3S MolecularWeight: 428.50796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC4=NNN=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C20H24N6O3S/c1-20(2,3)29-19(28)26-8-6-12(7-9-26)18-22-16(11-30-18)17(27)21-13-4-5-14-15(10-13)24-25-23-14/h4-5,10-12H,6-9H2,1-3H3,(H,21,27)(H,23,24,25)