[(2S)-2-(5-bromanylthiophen-2-yl)-4-tert-butyl-7-formamido-2,3-dihydrobenzimidazol-1-yl] piperidine-1-carboxylate

Systemtic Name: [(2S)-2-(5-bromanylthiophen-2-yl)-4-tert-butyl-7-formamido-2,3-dihydrobenzimidazol-1-yl] piperidine-1-carboxylate Openeye Name: [(2S)-2-(5-bromo-2-thienyl)-4-tert-butyl-7-formamido-2,3-dihydrobenzimidazol-1-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2S)-2-(5-bromo-2-thiophenyl)-4-tert-butyl-7-formamido-2,3-dihydrobenzimidazol-1-yl] ester IUPAC Name: [(2S)-2-(5-bromothiophen-2-yl)-4-tert-butyl-7-formamido-2,3-dihydrobenzimidazol-1-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2S)-2-(5-bromo-2-thienyl)-4-tert-butyl-7-formamido-2,3-dihydrobenzimidazol-1-yl] ester Formula: C22H27BrN4O3S MolecularWeight: 507.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=C(C=C1)NC=O)N(C(N2)C3=CC=C(S3)Br)OC(=O)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=C2C(=C(C=C1)NC=O)N([C@H](N2)C3=CC=C(S3)Br)OC(=O)N4CCCCC4

InChI

InChI=1S/C22H27BrN4O3S/c1-22(2,3)14-7-8-15(24-13-28)19-18(14)25-20(16-9-10-17(23)31-16)27(19)30-21(29)26-11-5-4-6-12-26/h7-10,13,20,25H,4-6,11-12H2,1-3H3,(H,24,28)/t20-/m0/s1