tert-butyl 4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S2/c1-13-12-30-18(21-13)31-16-6-5-14(11-15(16)24(27)28)17(25)22-7-9-23(10-8-22)19(26)29-20(2,3)4/h5-6,11-12H,7-10H2,1-4H3