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

Systemtic Name: sodium 5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-benzenesulfonate Openeye Name: sodium 5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxy-benzenesulfonate CAS Name: sodium 5-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-2-methoxybenzenesulfonate IUPAC Name: sodium 5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxybenzenesulfonate Traditional Name: sodium 5-[(4-butoxyphenyl)thiocarbamoylamino]-2-methoxy-besylate Formula: C18H21N2NaO5S2 MolecularWeight: 432.48951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S2.Na/c1-3-4-11-25-15-8-5-13(6-9-15)19-18(26)20-14-7-10-16(24-2)17(12-14)27(21,22)23;/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,26)(H,21,22,23);/q;+1/p-1