tert-butyl 4-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N5O3S/c1-22(2,3)30-21(29)27-10-8-14(9-11-27)20-26-17(13-31-20)19(28)23-12-18-24-15-6-4-5-7-16(15)25-18/h4-7,13-14H,8-12H2,1-3H3,(H,23,28)(H,24,25)