tert-butyl 4-[(E)-C-(3-bromanylthiophen-2-yl)-N-oxidanyl-carbonimidoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-C-(3-bromanylthiophen-2-yl)-N-oxidanyl-carbonimidoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-C-(3-bromo-2-thienyl)-N-hydroxy-carbonimidoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-(3-bromo-2-thiophenyl)-hydroxyiminomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-C-(3-bromothiophen-2-yl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-(3-bromo-2-thienyl)carbohydroximoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C14H20BrN3O3S MolecularWeight: 390.2959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=NO)C2=C(C=CS2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)/C(=N/O)/C2=C(C=CS2)Br

InChI

InChI=1S/C14H20BrN3O3S/c1-14(2,3)21-13(19)18-7-5-17(6-8-18)12(16-20)11-10(15)4-9-22-11/h4,9,20H,5-8H2,1-3H3/b16-12+