tert-butyl 4-[(2-nitrophenyl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-nitrophenyl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-nitrobenzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-nitrobenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2-nitrobenzoyl)thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S/c1-17(2,3)26-16(23)20-10-8-19(9-11-20)15(27)18-14(22)12-6-4-5-7-13(12)21(24)25/h4-7H,8-11H2,1-3H3,(H,18,22,27)