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

Systemtic Name: N-[4-methyl-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methyl-3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methyl-3-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methyl-3-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C24H23N5O5S MolecularWeight: 493.53492

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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)N4CCCC4)[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)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O5S/c1-15-6-8-17(25-23(31)21-5-4-12-34-21)14-18(15)26-24(35)27-22(30)16-7-9-19(20(13-16)29(32)33)28-10-2-3-11-28/h4-9,12-14H,2-3,10-11H2,1H3,(H,25,31)(H2,26,27,30,35)