sodium 2-ethoxy-5-[(4-ethoxyphenyl)carbamothioylamino]benzenesulfonate

Systemtic Name: sodium 2-ethoxy-5-[(4-ethoxyphenyl)carbamothioylamino]benzenesulfonate Openeye Name: sodium 2-ethoxy-5-[(4-ethoxyphenyl)carbamothioylamino]benzenesulfonate CAS Name: sodium 2-ethoxy-5-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]benzenesulfonate IUPAC Name: sodium 2-ethoxy-5-[(4-ethoxyphenyl)carbamothioylamino]benzenesulfonate Traditional Name: sodium 2-ethoxy-5-(p-phenetylthiocarbamoylamino)besylate Formula: C17H19N2NaO5S2 MolecularWeight: 418.46293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H20N2O5S2.Na/c1-3-23-14-8-5-12(6-9-14)18-17(25)19-13-7-10-15(24-4-2)16(11-13)26(20,21)22;/h5-11H,3-4H2,1-2H3,(H2,18,19,25)(H,20,21,22);/q;+1/p-1