sodium 4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonate

Systemtic Name: sodium 4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonate Openeye Name: sodium 4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonate CAS Name: sodium 4-[[2-ethoxy-5-[[(4-pentoxyanilino)-sulfanylidenemethyl]amino]phenyl]methoxy]benzenesulfonate IUPAC Name: sodium 4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonate Traditional Name: sodium 4-[5-[(4-amoxyphenyl)thiocarbamoylamino]-2-ethoxy-benzyl]oxybesylate Formula: C27H31N2NaO6S2 MolecularWeight: 566.66461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)COC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)COC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H32N2O6S2.Na/c1-3-5-6-17-34-23-10-7-21(8-11-23)28-27(36)29-22-9-16-26(33-4-2)20(18-22)19-35-24-12-14-25(15-13-24)37(30,31)32;/h7-16,18H,3-6,17,19H2,1-2H3,(H2,28,29,36)(H,30,31,32);/q;+1/p-1