N-[2-methoxy-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methoxy-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methoxy-4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methoxy-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methoxy-4-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

InChI

InChI=1S/C24H23N5O6S/c1-34-21-14-16(7-8-17(21)26-23(31)20-5-4-12-35-20)25-24(36)27-22(30)15-6-9-18(19(13-15)29(32)33)28-10-2-3-11-28/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,31)(H2,25,27,30,36)