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

Systemtic Name: propyl 4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6S/c1-2-11-32-21(28)15-3-5-16(6-4-15)23-22(33)24-20(27)18-14-17(26(29)30)7-8-19(18)25-9-12-31-13-10-25/h3-8,14H,2,9-13H2,1H3,(H2,23,24,27,33)