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

Systemtic Name: sodium 4-[[5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-phenyl]methoxy]benzenesulfonate Openeye Name: sodium 4-[[5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-phenyl]methoxy]benzenesulfonate CAS Name: sodium 4-[[5-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-2-methoxyphenyl]methoxy]benzenesulfonate IUPAC Name: sodium 4-[[5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxyphenyl]methoxy]benzenesulfonate Traditional Name: sodium 4-[5-[(4-butoxyphenyl)thiocarbamoylamino]-2-methoxy-benzyl]oxybesylate Formula: C25H27N2NaO6S2 MolecularWeight: 538.61145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H28N2O6S2.Na/c1-3-4-15-32-21-8-5-19(6-9-21)26-25(34)27-20-7-14-24(31-2)18(16-20)17-33-22-10-12-23(13-11-22)35(28,29)30;/h5-14,16H,3-4,15,17H2,1-2H3,(H2,26,27,34)(H,28,29,30);/q;+1/p-1