tert-butyl 4-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-thiazol-4-ylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[2-(4-thiazolyl)-1-benzimidazolyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-thiazol-4-ylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2C4=CSC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2C4=CSC=N4

InChI

InChI=1S/C21H25N5O3S/c1-21(2,3)29-20(28)25-10-8-24(9-11-25)18(27)12-26-17-7-5-4-6-15(17)23-19(26)16-13-30-14-22-16/h4-7,13-14H,8-12H2,1-3H3