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

Systemtic Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-4-[(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=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=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/C24H23N5O5S/c1-15-13-17(7-8-18(15)26-23(31)21-5-4-12-34-21)25-24(35)27-22(30)16-6-9-19(20(14-16)29(32)33)28-10-2-3-11-28/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,31)(H2,25,27,30,35)