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

Systemtic Name: N-[4-methyl-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methyl-3-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methyl-3-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-3-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methyl-3-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O6S/c1-15-4-6-17(25-23(31)21-3-2-10-35-21)14-18(15)26-24(36)27-22(30)16-5-7-19(20(13-16)29(32)33)28-8-11-34-12-9-28/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,25,31)(H2,26,27,30,36)