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

Systemtic Name: butyl 2-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[5-nitro-2-(1-piperidyl)benzoyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-nitro-2-piperidin-1-ylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-nitro-2-piperidino-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C25H27N5O5S2 MolecularWeight: 541.64238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O5S2/c1-2-3-13-35-23(32)16-7-9-19-21(14-16)37-25(26-19)28-24(36)27-22(31)18-15-17(30(33)34)8-10-20(18)29-11-5-4-6-12-29/h7-10,14-15H,2-6,11-13H2,1H3,(H2,26,27,28,31,36)