propyl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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