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

Systemtic Name: N-[2-chloranyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C23H20ClN5O6S MolecularWeight: 529.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5O6S/c24-16-13-15(4-5-17(16)26-22(31)20-2-1-9-35-20)25-23(36)27-21(30)14-3-6-18(19(12-14)29(32)33)28-7-10-34-11-8-28/h1-6,9,12-13H,7-8,10-11H2,(H,26,31)(H2,25,27,30,36)