N-[4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[4-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-2-methyl-phenyl]-2-furamide Formula: C22H20N4O6S MolecularWeight: 468.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6S/c1-3-31-18-9-6-14(12-17(18)26(29)30)20(27)25-22(33)23-15-7-8-16(13(2)11-15)24-21(28)19-5-4-10-32-19/h4-12H,3H2,1-2H3,(H,24,28)(H2,23,25,27,33)