tert-butyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O6S/c1-18(2,3)28-17(25)21-8-6-20(7-9-21)15(23)11-29-14-5-4-12(16(19)24)10-13(14)22(26)27/h4-5,10H,6-9,11H2,1-3H3,(H2,19,24)