butyl 4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C23H26N4O6S/c1-2-3-12-33-22(29)16-4-6-17(7-5-16)24-23(34)25-21(28)19-15-18(27(30)31)8-9-20(19)26-10-13-32-14-11-26/h4-9,15H,2-3,10-14H2,1H3,(H2,24,25,28,34)