ethyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H23N5O5S2 MolecularWeight: 513.58922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O5S2/c1-2-33-21(30)15-6-8-16-19(13-15)35-23(24-16)26-22(34)25-20(29)14-7-9-17(18(12-14)28(31)32)27-10-4-3-5-11-27/h6-9,12-13H,2-5,10-11H2,1H3,(H2,24,25,26,29,34)