tert-butyl 4-[2-[(5-bromanylthiophen-3-yl)carbonylamino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(5-bromanylthiophen-3-yl)carbonylamino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(5-bromothiophene-3-carbonyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(5-bromo-3-thiophenyl)-oxomethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(5-bromothiophene-3-carbonyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-bromothiophene-3-carbonyl)amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22BrN3O4S MolecularWeight: 432.33258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CSC(=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CSC(=C2)Br

InChI

InChI=1S/C16H22BrN3O4S/c1-16(2,3)24-15(23)20-6-4-19(5-7-20)13(21)9-18-14(22)11-8-12(17)25-10-11/h8,10H,4-7,9H2,1-3H3,(H,18,22)