N-[4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C23H21N5O6S MolecularWeight: 495.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H21N5O6S/c29-21(18-14-17(28(31)32)7-8-19(18)27-9-12-33-13-10-27)26-23(35)25-16-5-3-15(4-6-16)24-22(30)20-2-1-11-34-20/h1-8,11,14H,9-10,12-13H2,(H,24,30)(H2,25,26,29,35)