methyl 4-morpholin-4-yl-3-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H22N4O7S MolecularWeight: 510.51908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O7S/c1-33-23(30)16-5-6-19(27-9-11-34-12-10-27)18(14-16)25-24(36)26-22(29)21-8-7-20(35-21)15-3-2-4-17(13-15)28(31)32/h2-8,13-14H,9-12H2,1H3,(H2,25,26,29,36)