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

Systemtic Name: N-[2-chloranyl-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C23H20ClN5O5S MolecularWeight: 513.9534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=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

C1CCN(C1)C2=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/C23H20ClN5O5S/c24-16-13-15(6-7-17(16)26-22(31)20-4-3-11-34-20)25-23(35)27-21(30)14-5-8-18(19(12-14)29(32)33)28-9-1-2-10-28/h3-8,11-13H,1-2,9-10H2,(H,26,31)(H2,25,27,30,35)