ethyl 4-[(4-ethoxyphenyl)sulfonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-ethoxyphenyl)sulfonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-ethoxyphenyl)sulfonylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-ethoxyphenyl)sulfonylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxyphenyl)sulfonylcarbamothioylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H20N2O5S2/c1-3-24-15-9-11-16(12-10-15)27(22,23)20-18(26)19-14-7-5-13(6-8-14)17(21)25-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,26)