propyl 4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6S/c1-2-12-30-21(27)14-6-8-16(9-7-14)23-22(32)24-20(26)19-11-10-18(31-19)15-4-3-5-17(13-15)25(28)29/h3-11,13H,2,12H2,1H3,(H2,23,24,26,32)