N-[2-methoxy-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methoxy-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methoxy-4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methoxy-4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methoxy-4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C24H23N5O7S MolecularWeight: 525.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

InChI

InChI=1S/C24H23N5O7S/c1-34-21-14-16(5-6-17(21)26-23(31)20-3-2-10-36-20)25-24(37)27-22(30)15-4-7-18(19(13-15)29(32)33)28-8-11-35-12-9-28/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,26,31)(H2,25,27,30,37)