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

Systemtic Name: butyl 4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6S/c1-2-3-13-31-22(28)15-7-9-17(10-8-15)24-23(33)25-21(27)20-12-11-19(32-20)16-5-4-6-18(14-16)26(29)30/h4-12,14H,2-3,13H2,1H3,(H2,24,25,27,33)