methyl 4-morpholin-4-yl-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C24H27N5O7S MolecularWeight: 529.56548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C24H27N5O7S/c1-34-23(31)16-2-4-21(28-8-12-36-13-9-28)19(14-16)25-24(37)26-22(30)18-15-17(29(32)33)3-5-20(18)27-6-10-35-11-7-27/h2-5,14-15H,6-13H2,1H3,(H2,25,26,30,37)