ethyl 4-[[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-[(4-methyl-2-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furoyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H22N4O7S MolecularWeight: 498.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O7S/c1-3-32-22(29)15-5-7-16(8-6-15)24-23(35)26-25-21(28)20-11-9-17(34-20)13-33-19-10-4-14(2)12-18(19)27(30)31/h4-12H,3,13H2,1-2H3,(H,25,28)(H2,24,26,35)