N-[2-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[[5-(2-nitrophenyl)-2-furoyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C28H20N4O6S MolecularWeight: 540.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H20N4O6S/c1-16-14-18(10-11-20(16)30-27(34)25-15-17-6-2-5-9-22(17)37-25)29-28(39)31-26(33)24-13-12-23(38-24)19-7-3-4-8-21(19)32(35)36/h2-15H,1H3,(H,30,34)(H2,29,31,33,39)