pentyl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: pentyl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: pentyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-hydroxy-4-[[[[(5-nitro-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-hydroxy-4-[(5-nitro-2-furoyl)thiocarbamoylamino]benzoic acid amyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-2-3-4-9-27-17(24)12-6-5-11(10-13(12)22)19-18(29)20-16(23)14-7-8-15(28-14)21(25)26/h5-8,10,22H,2-4,9H2,1H3,(H2,19,20,23,29)