butyl 2-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[5-nitro-2-(1-piperidyl)benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-nitro-2-piperidino-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C24H26N4O5S/c1-2-3-13-33-23(30)16-7-9-19-21(14-16)34-24(25-19)26-22(29)18-15-17(28(31)32)8-10-20(18)27-11-5-4-6-12-27/h7-10,14-15H,2-6,11-13H2,1H3,(H,25,26,29)