N-[3-[[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]methyl]phenyl]-2-furamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c22-20(27)14-6-7-18(16(10-14)25(29)30)32-12-19(26)23-11-13-3-1-4-15(9-13)24-21(28)17-5-2-8-31-17/h1-10H,11-12H2,(H2,22,27)(H,23,26)(H,24,28)